Molecule Details

O=C(Nc1ccccc1O)C1CCN(C(=O)CCC(=O)N2Cc3ccccc3C(c3ccccc3)C2)CC1

Molecular Properties
SMILES:
O=C(Nc1ccccc1O)C1CCN(C(=O)CCC(=O)N2Cc3ccccc3C(c3ccccc3)C2)CC1
MW: 511.622
Fraction sp3: 0.32
HBA: 4
HBD: 2
Rotatable Bonds: 6
TPSA: 89.95
cLogP: 4.5238
Covalent Warhead:
Covalent Fragment:

catechol

CS(=O)(=O)NCCc1ccccc1

AAR-POS-d2a4d1df-1

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O=C(Nc1ccccc1O)C1CCN(N2Cc3ccccc3C(c3ccccc3)C2)CC1

JAR-IMP-ed466bb3-17
0.620

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O=C(Nc1ccccc1O)C1CCN(C(=O)CCl)CC1

MAR-TRE-6a44bbf2-15
0.506

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O=C(Nc1ccccc1O)C1CCN(C(=O)CCl)CC1

AAR-POS-0daf6b7e-6
0.506

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O=C(CCl)N1Cc2ccccc2C(c2ccccc2)C1

AAR-POS-0daf6b7e-14
0.500

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O=C(CN1Cc2ccccc2C(c2ccccc2)C1)N1Cc2ccccc2C(c2ccccc2)C1

JAR-IMP-ed466bb3-8
0.478

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C=CC(=O)N1CCC(C(=O)N2Cc3ccccc3C(c3ccccc3)C2)CC1

SAD-SAT-1f400d17-9
0.449

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C=C(CCN(C)C)C(=O)N1Cc2ccccc2C(c2ccccc2)C1

REN-UFA-aaaed2d6-2
0.448

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C=C(CN(C)C)C(=O)N1Cc2ccccc2C(c2ccccc2)C1

REN-UFA-aaaed2d6-3
0.427

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CN(CCC(N)=O)C(=O)C(=O)N1Cc2ccccc2C(c2ccccc2)C1

REN-UFA-aaaed2d6-6
0.416

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NS(=O)(=O)c1ccc2c(c1)N(CC(=O)N1Cc3ccccc3C(c3ccccc3)C1)CCC2

JAR-IMP-ed466bb3-6
0.404

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O=C(N1Cc2ccccc2[C@H](c2ccccc2)C1)[C@]1(F)CCCOC1

RAI-NOV-2f6a9876-6
0.402

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CNCCN(C)C(=O)C(=O)N1Cc2ccccc2C(c2ccccc2)C1

REN-UFA-aaaed2d6-5
0.402

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CN(C)C/C=C/C(=O)N1Cc2ccccc2C(c2ccccc2)C1

REN-UFA-aaaed2d6-1
0.400

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O=C(CCl)N1Cc2cc(O)ccc2C(c2ccccc2)C1

MIH-UNI-e573136b-10
0.392

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NS(=O)(=O)c1ccc(C(=O)N2Cc3ccccc3C(c3ccccc3)C2)cc1

JAR-IMP-ed466bb3-13
0.390

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O=C(c1cccc2ccccc12)N1Cc2ccccc2C(c2ccccc2)C1

JAR-IMP-ed466bb3-3
0.388

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O=C(CCl)N1CC2C(=CC=C2C2CN(C(=O)CCl)Cc3ccccc32)C(c2ccccc2)C1

JAR-IMP-ed466bb3-2
0.379

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CC1CN(C(=O)N2Cc3ccccc3C(c3ccccc3)C2)CCO1

JAR-IMP-ed466bb3-7
0.379

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O=C(/C=C/Cn1cncn1)N1Cc2ccccc2C(c2ccccc2)C1

REN-UFA-aaaed2d6-4
0.374

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O=C1NCCC1=CC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1

RAI-NOV-a7d52b4a-2
0.369

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O=C(Nc1ccccc1Br)C1CCN(C(=O)CCl)CC1

LON-WEI-120e5cf5-16
0.368

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N#Cc1cccc(C2CN(C(=O)CCl)Cc3ccccc32)c1

NIR-THE-c331be7a-2
0.366

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O=C(Nc1ccccc1)N1CCC(N2Cc3ccccc3C(c3ccccc3)C2)CC1

JAR-IMP-ed466bb3-9
0.364

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O=C(C(=O)N1Cc2ccccc2C(c2ccccc2)C1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1

JAR-IMP-ed466bb3-4
0.364

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O=C(Nc1ccccc1C1COC1)C1CCN(C(=O)CCl)CC1

MAK-UNK-3d7e3904-3
0.364

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Nc1cccc(C2CN(C(=O)CCl)Cc3ccccc32)c1

NIR-THE-c331be7a-1
0.360

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O=C(CCl)N1Cc2ccccc2[C@H](c2cccc(F)c2)C1

DAR-DIA-caba39e3-1
0.360

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Cc1cccc(C2CN(C(=O)CCl)Cc3ccccc32)c1

NIR-THE-c331be7a-6
0.360

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NS(=O)(=O)c1ccc(N2CCC(CN3Cc4ccccc4C(c4ccccc4)C3)CC2)cc1

WAR-XCH-b72a1bbc-22
0.358

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N#CC(=CC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1)c1cc[nH]n1

RAI-NOV-a7d52b4a-5
0.358

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Cc1nc(-c2ccccc2)c(NC(=O)C(=O)N2CCC(C(=O)Nc3ccccc3O)CC2)s1

JAR-IMP-ed466bb3-10
0.354

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N#CC(=CC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1)c1cscn1

RAI-NOV-a7d52b4a-4
0.351

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O=C(CCNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2)c1)N1Cc2ccccc2C(c2ccccc2)C1

MAK-UNK-702fb7d3-1
0.351

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O=C(Nc1ccccc1N1CCC1)C1CCN(C(=O)CCl)CC1

MAK-UNK-3d7e3904-2
0.350

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CS(=O)(=O)Nc1ccc2c(c1)C(c1ccccc1)CN(C(=O)CCl)C2

MIH-UNI-e573136b-15
0.349

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COc1cccc([C@@H]2CN(C(=O)CCl)Cc3ccccc32)c1

DAR-DIA-caba39e3-2
0.346

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O=C(CCl)N1Cc2ccc(CO)cc2C(c2ccccc2)C1

THO-SYG-4e0386bb-1
0.343

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NS(=O)(=O)c1ccc2ccc(C3CN(C(=O)CCl)Cc4ccccc43)cc2c1

NIR-THE-c331be7a-5
0.342

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NS(=O)(=O)c1ccc2ccc(C3CN(C(=O)CCl)Cc4ccccc43)cc2c1

MIH-UNI-e573136b-12
0.342

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NS(=O)(=O)c1ccc2ccc(C3CN(C(=O)CCl)Cc4ccccc43)cc2c1

TAM-UNI-d1c3dd9f-3
0.342

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CN1CCCc2ccc(S(=O)(=O)C(=O)N3Cc4ccccc4C(c4ccccc4)C3)cc21

JAR-IMP-ed466bb3-1
0.342

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O=C(Nc1ccccc1)C1CCN(C(=O)CB(O)O)CC1

JAG-SYN-9c2cd0bd-8
0.337

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O=C(CCl)N1Cc2ccccc2C(c2cccc(CNC(=O)N3CCOCC3)c2)C1

TAM-UNI-d1c3dd9f-7
0.336

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O=C(Nc1cc2cc(C(=O)O)cnc2[nH]1)Nc1cc(O)ccc1C1CN(C(=O)CCl)Cc2ccccc21

JAN-LUN-04aedcc0-6
0.333

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NS(=O)(=O)C1CCc2ccc(C3CN(C(=O)CCl)Cc4ccccc43)cc2C1

DAV-CRI-3fe943ba-1
0.330

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O=C(Nc1ccccc1)C1CCN(C(=O)CCl)CC1

MAR-TRE-6a44bbf2-86
0.330

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O=C(Nc1ccccc1)C1CCN(C(=O)CCl)CC1

LON-WEI-120e5cf5-15
0.330

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NS(=O)(=O)C1CCc2cc(C3CN(C(=O)CCl)Cc4ccccc43)ccc2C1

DAV-CRI-3fe943ba-2
0.327

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CC(C)N(C)C(=O)c1ccc2c(c1)CN(C(=O)CCl)CC2c1ccccc1

SAL-INS-1c7a5a55-1
0.327

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O=C(Nc1ccccc1OC1CCN(Cc2ccccc2)CC1)C1CCN(C(=O)CCl)CC1

MED-COV-4280ac29-17
0.325

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O=C(Nc1cc(Cl)nc2ccccc12)C1CCN(C(=O)CCl)CC1

LON-WEI-120e5cf5-14
0.321

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NC(=O)Cc1ccccc1C1CN(C(=O)CCl)Cc2ccccc21

MIH-UNI-e573136b-9
0.320

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NC(=O)Cc1ccccc1C1CN(C(=O)CCl)Cc2ccccc21

NIR-THE-c331be7a-4
0.320

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CC(=O)NCCCc1cn(C)c2cc(C3CN(C(=O)CCl)Cc4ccccc43)ccc12

TAM-UNI-d1c3dd9f-11
0.320

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NS(=O)(=O)c1ccc(N2CCC(N3Cc4ccccc4C(c4ccccc4)C3)CC2)cc1

WAR-XCH-b72a1bbc-13
0.318

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O=C(Nc1ccccc1OC1CS(=O)(=O)C1)C1CCN(C(=O)CCl)CC1

MAK-UNK-a7992eb3-7
0.318

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Cc1ccc(NC(=O)CN2Cc3ccccc3C(c3ccccc3)C2)cc1N1CCCC1=O

JAR-IMP-ed466bb3-5
0.317

View
CN(CC(=O)N1Cc2ccccc2C(c2ccccc2)C1)Cc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2)c1

MAK-UNK-702fb7d3-17
0.316

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NS(=O)(=O)c1ccc2cccc(NC(=O)C3CCN(C(=O)CCl)CC3)c2c1

MAK-UNK-69bf97dd-4
0.315

View
CS(=O)(=O)N1CCc2ccc(C3CN(C(=O)CCl)Cc4ccccc43)cc2C1

TAM-UNI-d1c3dd9f-8
0.313

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Cc1cc(N2Cc3ccccc3C(c3ccccc3)C2)ccc1CS(N)(=O)=O

JAR-IMP-ed466bb3-14
0.312

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O=C(Nc1ccccc1OCC1CN(Cc2ccccc2)CCO1)C1CCN(C(=O)CCl)CC1

MAK-UNK-a7992eb3-2
0.311

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O=C(Nc1ccccc1Oc1ccccn1)C1CCN(C(=O)CCl)CC1

MAK-UNK-a7992eb3-8
0.309

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CC(=O)N[C@H](C(=O)NCC#CBr)[C@H](C)Oc1ccccc1NC(=O)C1CCN(C(=O)CCl)CC1

MAK-UNK-a7992eb3-6
0.306

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c1ccc(C2CN(c3ccc(Oc4ncccn4)cc3)Cc3ccccc32)cc1

JAR-IMP-ed466bb3-16
0.306

View
O=C(N[C@@H](CC1CC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)C(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1)C1=CC2C=CC=CC2N1

DAV-SYG-f22c749d-4
0.303

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O=C(C(Cl)NCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2)c1)N1Cc2ccccc2C(c2ccccc2)C1

MAK-UNK-702fb7d3-2
0.302

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O=C(Nc1ccn(-c2ccccc2)n1)C1CCN(C(=O)CCl)CC1

LON-WEI-120e5cf5-12
0.302

View
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O)C1CCN(C(=O)CCl)CC1

MAK-UNK-69bf97dd-5
0.301

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O=C(Nc1c[nH]c2ccc(Br)cc12)C1CCN(C(=O)CCl)CC1

LON-WEI-120e5cf5-18
0.300

View
O=C(N[C@@H](CC1CC1)C(=O)N[C@@H](Cc1ccncc1)C(=O)C(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1)c1cc2ccccc2[nH]1

DAV-SYG-f22c749d-5
0.299

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O=C(CCl)N1Cc2ccccc2C(c2nc3ccccc3s2)C1

IND-SYN-6c8299e8-3
0.297

View
O=C(Nc1ccccc1OCC1(c2ccccn2)CCCC1)C1CCN(C(=O)CCl)CC1

MAK-UNK-a7992eb3-9
0.297

View
N#Cc1cnc(CNC(=O)N2CCOCC2)c([C@@H]2CN(C(=O)CCl)Cc3ccccc32)c1

DAR-DIA-caba39e3-12
0.294

View
CNS(=O)(=O)c1ccc(C#N)c(C2CN(C(=O)CCl)Cc3ccccc32)c1

TAM-UNI-d1c3dd9f-10
0.293

View
CC1C(Oc2ccccc2NC(=O)C2CCN(C(=O)CCl)CC2)CCCN1Cc1ccccc1

MAK-UNK-a7992eb3-5
0.293

View
O=C(CCl)N1CCN(C(=O)Nc2ccccc2O)CC1

SWA-SYN-d2e6fa14-1
0.292

View
C#CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1

JAG-SYN-9c2cd0bd-4
0.292

View
CN(C(=O)c1ccc2c(c1)CN(C(=O)CCl)CC2c1ccccc1)c1c[nH]cn1

SAL-INS-1c7a5a55-2
0.292

View
O=C(CCl)N1CCN(C(=O)Nc2ccccc2O)CC1

SWA-SYN-6423ea73-1
0.292

View
O=C(Nc1ccccc1O)C1CC2CC1CN2C(=O)CCl

MAK-UNK-3f402c2b-19
0.291

View
O=C(CCl)N1Cc2cc3c([N+](=O)[O-])cccc3cc2C(c2ccccc2)C1

SAL-INS-1c7a5a55-5
0.289

View
Cc1n[nH]c(-c2ccc(C)c(NC(=O)C3CCN(C(=O)CCl)CC3)c2)n1

LON-WEI-120e5cf5-7
0.289

View
CNC(Cl)(C(=O)N1Cc2ccccc2C(c2ccccc2)C1)c1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2)c1

MAK-UNK-702fb7d3-20
0.288

View
CNC(=C(CCl)N1Cc2ccccc2C(c2ccccc2)C1)c1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2)c1

MAK-UNK-702fb7d3-21
0.288

View
Cc1ccc(NC(=O)C2CCN(C(=O)CCl)CC2)nc1

MAK-UNK-c97f7c8f-1
0.287

View
COc1cc([C@@H]2CN(C(=O)CCl)Cc3ccccc32)c2ccccc2c1

DAR-DIA-caba39e3-9
0.287

View
COc1cc([C@@H]2CN(C(=O)CCl)Cc3ccccc32)c2ccc(S(N)(=O)=O)cc2c1

DAR-DIA-caba39e3-10
0.287

View
O=C(Nc1ccccc1OC1CCN(Cc2ccsc2)CC1)C1CCN(C(=O)CCl)CC1

MAK-UNK-a7992eb3-1
0.287

View
O=C(CCl)N1Cc2ccccc2[C@H](c2cc(F)cc3ccccc23)C1

DAR-DIA-caba39e3-7
0.286

View
O=C(CCl)N1Cc2ccccc2[C@H](c2cc(Cl)cc3ccccc23)C1

DAR-DIA-caba39e3-8
0.286

View
O=C(CCl)N1Cc2ccccc2[C@H](c2cc(F)cnc2CNC(=O)N2CCOCC2)C1

DAR-DIA-caba39e3-13
0.286

View
O=S(=O)(c1cccnc1)n1cc(CN/C=C(\CCl)N2Cc3ccccc3C(c3ccccc3)C2)cc1-c1ccccc1F

MAK-UNK-702fb7d3-3
0.284

View
CC(=O)NCCc1c[nH]c2c([C@@H]3CN(C(=O)CCl)Cc4ccccc43)cc(Cl)cc12

DAR-DIA-caba39e3-5
0.280

View
CC(=O)NCCc1c[nH]c2c([C@@H]3CN(C(=O)CCl)Cc4ccccc43)cc(F)cc12

DAR-DIA-caba39e3-6
0.280

View
COc1cc([C@@H]2CN(C(=O)CCl)Cc3ccccc32)c2[nH]ccc2c1

DAR-DIA-caba39e3-3
0.280

View
Cc1cccnc1NC(=O)C1CCN(C(=O)CCl)CC1

LON-WEI-120e5cf5-21
0.276

View
CC(=O)c1cccc(NC(=O)C2CCN(C(=O)CCl)CC2)c1

LON-WEI-120e5cf5-19
0.276

View
CC(=O)NC(Cc1ccc(Oc2ccccc2NC(=O)C2CCN(C(=O)CCl)CC2)cc1)C(=O)NCC#CBr

MAK-UNK-a7992eb3-3
0.276

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C=CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1

JAG-SYN-9c2cd0bd-3
0.276

View
O=C(CCC(=O)N1CCC(C(=O)Nc2ccccc2O)CC1)c1ccccc1

0.643

View
CC(=O)CCC(=O)N1CCC(C(=O)Nc2ccccc2O)CC1

0.636

View
O=C(Nc1ccccc1O)C1CCN(C(=O)CCC2CCc3ccccc32)CC1

0.633

View
CC(C)(C)C(=O)CCC(=O)N1CCC(C(=O)Nc2ccccc2O)CC1

0.632

View
O=C(Nc1ccccc1O)C1CCN(C(=O)CCO)CC1

0.630

View
O=C(Nc1ccccc1O)C1CCN(C(=O)CCc2ccccc2)CC1

0.625

View
O=C(CCCC(=O)N1CCC(C(=O)Nc2ccccc2O)CC1)C1CC1

0.625

View
O=C(Nc1ccccc1O)C1CCN(C(=O)CCC(=O)N2CCOCC2)CC1

0.625

View
CC(C)CCCC(=O)N1CCC(C(=O)Nc2ccccc2O)CC1

0.621

View
CCNC(=O)CCC(=O)N1CCC(C(=O)Nc2ccccc2O)CC1

0.621

View
CCCC(=O)N1CCC(C(=O)Nc2ccccc2O)CC1

0.618

View
O=C(Nc1ccccc1)C1CCN(C(=O)CN2Cc3ccccc3C(c3ccccc3)C2)CC1

0.617

View
C=CCCC(=O)N1CCC(C(=O)Nc2ccccc2O)CC1

0.614

View
C=C(C)CCC(=O)N1CCC(C(=O)Nc2ccccc2O)CC1

0.614

View
C=C(Cl)CCC(=O)N1CCC(C(=O)Nc2ccccc2O)CC1

0.614

View
CNC(=O)CCC(=O)N1CCC(C(=O)Nc2ccccc2O)CC1

0.614

View
CC(C)CCC(=O)N1CCC(C(=O)Nc2ccccc2O)CC1

0.614

View
O=C(Nc1ccccc1O)C1CCN(C(=O)CC2CCc3ccccc32)CC1

0.610

View
O=C(Nc1ccccc1O)C1CCN(C(=O)CCC2CC2)CC1

0.607

View
O=C(Nc1ccccc1O)C1CCN(C(=O)CCCCO)CC1

0.607

View
CN1Cc2ccccc2C(NC(=O)N2CCC(C(=O)Nc3ccccc3O)CC2)C1

0.607

View
NC(=O)NCCC(=O)N1CCC(C(=O)Nc2ccccc2O)CC1

0.603

View
O=C(Nc1ccccc1O)C1CCN(C(=O)CCNc2ccccc2)CC1

0.603

View
O=C(CCCC(=O)N1CCC(C(=O)Nc2ccccc2O)CC1)c1ccccc1

0.603

View
CN(C)C(=O)CCC(=O)N1CCC(C(=O)Nc2ccccc2O)CC1

0.603

View
O=C(Nc1ccccc1O)C1CCN(C(=O)CCCc2ccccc2)CC1

0.603

View
O=C(Nc1ccccc1O)C1CCN(C(=O)CCC(=O)N2CCc3sccc3C2)CC1

0.603

View
O=C(Nc1ccccc1O)C1CCN(C(=O)N2Cc3ccccc3C2)CC1

0.600

View
O=C(CCC(=O)N1CCC(C(=O)Nc2ccccc2O)CC1)c1ccccn1

0.600

View
O=C(Nc1ccccc1O)C1CCN(C(=O)C(=O)N2Cc3ccccc3C2)CC1

0.600

View
O=C(Nc1ccccc1O)C1CCN(C(=O)CC2OCCc3ccccc32)CC1

0.597

View
O=C(Nc1ccccc1O)C1CCN(CCC(=O)N2CCc3ccccc3C2)CC1

0.597

View
CC(=O)CCCC(=O)N1CCC(C(=O)Nc2ccccc2O)CC1

0.596

View
NC(=O)CCCC(=O)N1CCC(C(=O)Nc2ccccc2O)CC1

0.596

View
O=C(Nc1ccccc1O)C1CCN(C(=O)CCCC2CC2)CC1

0.596

View
O=C(Nc1ccccc1O)C1CCN(C(=O)CCCCCO)CC1

0.596

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CCCCC(=O)N1CCC(C(=O)Nc2ccccc2O)CC1

0.596

View
O=C(Nc1ccccc1O)C1CCN(C(=O)CCSc2ccccc2)CC1

0.593

View
CC(C)(C)NCCC(=O)N1CCC(C(=O)Nc2ccccc2O)CC1

0.593

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COC(=O)CCCC(=O)N1CCC(C(=O)Nc2ccccc2O)CC1

0.593

View
CC(C)(C)C(=O)CCCC(=O)N1CCC(C(=O)Nc2ccccc2O)CC1

0.593

View
CC(C)=CCCC(=O)N1CCC(C(=O)Nc2ccccc2O)CC1

0.593

View
O=C(Nc1ccccc1O)C1CCN(C(=O)CCOc2ccccc2)CC1

0.593

View
O=C(NCCCC(=O)N1Cc2ccccc2C(c2ccccc2)C1)C1CC1

0.593

View
O=C(Nc1ccccc1O)C1CCN(C(=O)CCCCc2ccccc2)CC1

0.593

View
O=C(Nc1ccccc1O)C1CCN(C(=O)CC2CC(c3ccccc3)C2)CC1

0.593

View
O=C(O)CCC(=O)N1Cc2ccccc2C(c2ccccc2)C1

0.593

View
O=C(Nc1ccccc1O)C1CCN(C(=O)CC2CCCc3ccccc32)CC1

0.590

View
O=C(Nc1ccccc1O)C1CCN(C(=O)CCCC(O)c2ccccc2)CC1

0.590

View
CN1CCN(C(=O)CCNC(=O)N2CCC(C(=O)Nc3ccccc3O)CC2)CC1

0.590

View
O=C(CCC(=O)N1Cc2ccccc2C(c2ccccc2)C1)N1CCOCC1

0.589

View
O=C(CCCC(=O)N1Cc2ccccc2C(c2ccccc2)C1)C1CC1

0.589

View
C#CCCC(=O)N1CCC(C(=O)Nc2ccccc2O)CC1

0.586

View
COCCC(=O)N1CCC(C(=O)Nc2ccccc2O)CC1

0.586

View
O=C(Nc1ccccc1O)C1CCN(C(=O)CCC(F)(F)F)CC1

0.586

View
CC(C)(C)CCC(=O)N1CCC(C(=O)Nc2ccccc2O)CC1

0.586

View
O=C(Nc1ccccc1O)C1CCN(C(=O)CCn2cccc2)CC1

0.586

View
CCCCCC(=O)N1CCC(C(=O)Nc2ccccc2O)CC1

0.586

View
O=C(Nc1ccccc1O)C1CCN(C(=O)CCC2CCCC2)CC1

0.586

View
CC(=O)NCCC(=O)N1CCC(C(=O)Nc2ccccc2O)CC1

0.586

View
CSCCC(=O)N1CCC(C(=O)Nc2ccccc2O)CC1

0.586

View
O=C(Nc1ccccc1O)C1CCN(C(=O)CCC2CCC2)CC1

0.586

View
O=C(Nc1ccccc1O)C1CCN(C(=O)CCC(F)F)CC1

0.586

View
O=C(Nc1ccccc1O)C1CCN(C(=O)CCc2ccccc2Br)CC1

0.583

View
CC(C)(CCC(=O)N1CCC(C(=O)Nc2ccccc2O)CC1)c1ccccc1

0.583

View
CCNC(=O)CCCC(=O)N1CCC(C(=O)Nc2ccccc2O)CC1

0.583

View
O=C(Nc1ccccc1O)C1CCN(C(=O)CC2CCC(c3ccccc3)CC2)CC1

0.583

View
CC(C)CCCCC(=O)N1CCC(C(=O)Nc2ccccc2O)CC1

0.583

View
O=C(Nc1ccccc1O)C1CCN(C(=O)CCc2ncccn2)CC1

0.583

View
O=C(CCC(=O)N1CCC(C(=O)Nc2ccccc2O)CC1)NC1CCCC1

0.583

View
CC(=O)C(C)(C)CCC(=O)N1CCC(C(=O)Nc2ccccc2O)CC1

0.583

View
CCN(CC)C(=O)CCC(=O)N1CCC(C(=O)Nc2ccccc2O)CC1

0.583

View
O=C(Nc1ccccc1O)C1CCN(C(=O)CCC2CC2(Cl)Cl)CC1

0.583

View
O=C(Nc1ccccc1O)C1CCN(C(=O)C[C@@H]2C[C@H]2c2ccccc2)CC1

0.583

View
O=C(NCCC(=O)N1Cc2ccccc2C(c2ccccc2)C1)C1CCCCC1

0.583

View
O=C(Nc1ccccc1O)C1CCN(C(=O)CCc2ccc(-c3ccccc3)cc2)CC1

0.583

View
CN1CCN(C(=O)CCN2CCC(C(=O)Nc3ccccc3O)CC2)CC1

0.583

View
O=C(Nc1ccccc1O)C1CCN(C(=O)NCCC(=O)N2CCCC2)CC1

0.583

View
CCC(=O)N1CCC(C(=O)Nc2ccccc2O)CC1

0.582

View
O=C(Nc1ccccc1O)C1CCN(C(=O)CNC(=O)N2CCc3ccccc3C2)CC1

0.581

View
CC(=O)N1CCN(C(=O)CCNC(=O)N2CCC(C(=O)Nc3ccccc3O)CC2)CC1

0.581

View
O=C(NCC(=O)N1Cc2ccccc2C(c2ccccc2)C1)C1CC1

0.579

View
CN1Cc2ccccc2C(NC(=O)C(=O)N2CCC(C(=O)Nc3ccccc3O)CC2)C1

0.578

View
CCCCCCCC(=O)N1CCC(C(=O)Nc2ccccc2O)CC1

0.576

View
CCCCCCCCCC(=O)N1CCC(C(=O)Nc2ccccc2O)CC1

0.576

View
O=C(Nc1ccccc1O)C1CCN(C(=O)CCC2CCCCC2)CC1

0.576

View
CCCCCCC(=O)N1CCC(C(=O)Nc2ccccc2O)CC1

0.576

View
O=C(Nc1ccccc1O)C1CCN(C(=O)CCc2ccc(O)cc2)CC1

0.576

View
CC1(CCC(=O)N2CCC(C(=O)Nc3ccccc3O)CC2)CC1

0.576

View
C=C(C)CCCC(=O)N1CCC(C(=O)Nc2ccccc2O)CC1

0.576

View
O=C(Nc1ccccc1O)C1CCN(C(=O)CCC2CCCCCC2)CC1

0.576

View
O=C(Nc1ccccc1O)C1CCN(C(=O)CCCC2CCC2)CC1

0.576

View
O=C(Nc1ccccc1O)C1CCN(C(=O)CCCC2CCCC2)CC1

0.576

View
CNC(=O)CCCC(=O)N1CCC(C(=O)Nc2ccccc2O)CC1

0.576

View
CC(C)(O)CCC(=O)N1CCC(C(=O)Nc2ccccc2O)CC1

0.576

View
O=C(Nc1ccccc1O)C1CCN(C(=O)CCC2(O)CCC2)CC1

0.576

View
CCCCCCCCC(=O)N1CCC(C(=O)Nc2ccccc2O)CC1

0.576

View
O=C(NCCCC(=O)N1CCC(C(=O)Nc2ccccc2O)CC1)C1CC1

0.576

View
CS(=O)(=O)CCC(=O)N1CCC(C(=O)Nc2ccccc2O)CC1

0.576

View
C[Si](C)(C)CCCC(=O)N1CCC(C(=O)Nc2ccccc2O)CC1

0.576

View

C(N1CC2=C(C=CC=C2)C(C)(C)C1)(=O)C1CCN(C(C2CC(=O)N(C3=CC=C(CC)C=C3)C2)=O)CC1

0.754

View
C(N1CC2=C(C=CC=C2)C(C)(C)C1)(=O)C1C(C(N2C3=C(C=CC=C3)CC2)=O)C1

0.749

View
C(N1CC2=C(C=CC=C2)C(C)(C)C1)(=O)C1CC(=O)N(C2=C(OC)C=CC=C2)C1

0.748

View
C(N(C(CCN1CC(C)(C)C2=C(C=CC=C2)C1)=O)C1=CC=C(OC)C=C1)(=O)C1CCN(C(C)=O)CC1

0.741

View
C(N1CC2=C(C=CC=C2)C(C)(C)C1)(=O)C1CCN(C2=CC=CC=C2)CC1

0.741

View


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