Molecule Details

O=C(CCl)N1CCC(N2CCN(C(=O)CCl)CC2)CC1
piperazine-chloroacetamide
Molecular Properties
SMILES:
O=C(CCl)N1CCC(N2CCN(C(=O)CCl)CC2)CC1
MW: 322.236
Fraction sp3: 0.85
HBA: 3
HBD: 0
Rotatable Bonds: 3
TPSA: 43.86
cLogP: 0.5992
Covalent Warhead: ✔️
Covalent Fragment: ✔️
CC(C)N(C)C(=O)C1CCN(C(=O)CCl)CC1

VIR-GIT-7b3d3065-3

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O=C(CCl)Nc1cccnc1Cl

AAR-POS-0daf6b7e-20

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CC(=O)N1CCN(C(=O)CCl)CC1

AAR-POS-0daf6b7e-21

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O=C(CCl)N1CCN(C2CCS(=O)(=O)C2)CC1

SAD-SAT-5b1897b2-6
0.553

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

SAD-SAT-1b030f84-9
0.514

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CC1CCN(C(=O)CCl)CC1

SAD-SAT-d8079f6f-4
0.488

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N#CC1CCN(C(=O)CCl)CC1

MAK-UNK-6c8f5f75-1
0.455

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

MAK-UNK-750cfbcc-1
0.455

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O=C(CCl)N1CCN(C(=O)C2CC2)CC1

SAD-SAT-5b1897b2-9
0.444

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

AAR-POS-0daf6b7e-21
0.439

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

MAK-UNK-704ed37c-11
0.429

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

MAK-UNK-750cfbcc-2
0.417

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

MAK-UNK-987948f6-4
0.413

View
O=C(CCl)N1CCC(C(=O)N2CCCC2)CC1

MAR-TRE-6a44bbf2-79
0.408

View
O=C(CCl)N1CCC(C(=O)N2CCCC2)CC1

MAK-UNK-750cfbcc-3
0.408

View
O=C(CCl)N1CCCC1

MAK-UNK-4b073b5c-16
0.400

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CC(=O)C(=O)N1CCN(C(=O)CCl)CC1

MAK-UNK-987948f6-5
0.400

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

MAK-UNK-6ca90168-16
0.400

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Cc1cc(C)nc(NC2CCN(C(=O)CCl)CC2)n1

GIA-UNK-a79af1bc-1
0.397

View
CC(C)N(C)C(=O)N1CCN(C(=O)CCl)CC1

YOI-UNK-15f562e8-4
0.396

View
CC(C)N(C)C(=O)N1CCN(C(=O)CCl)CC1

VIK-SYN-bf9c9ac8-1
0.396

View
O=C(CCl)N1CCC1

MAK-UNK-95198336-3
0.395

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O=C(CCl)N1CCC(C(=O)N2CCCCCC2)CC1

MAK-UNK-750cfbcc-5
0.392

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O=C(CCl)N1CCC(C(=O)N2CCCCC2)CC1

AAR-POS-0daf6b7e-9
0.392

View
O=C(CCl)N1CCC(C(=O)N2CCCCC2)CC1

VIR-GIT-7b3d3065-2
0.392

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

MAK-UNK-704ed37c-12
0.391

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N#CC(=O)N1CCN(C(=O)CCl)CC1

MAK-UNK-6ca90168-17
0.391

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N#CCC(=O)N1CCN(C(=O)CCl)CC1

MAK-UNK-6ca90168-18
0.391

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NS(=O)(=O)CC(=O)N1CCN(C(=O)CCl)CC1

SAD-SAT-1b030f84-8
0.383

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O=C(CCl)N1CCN(C(=O)N2CCCC2)CC1

MAK-UNK-704ed37c-10
0.383

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O=C(CCl)N1CCC(C(=O)N2CNOC2)CC1

MAK-UNK-704ed37c-7
0.382

View
O=C(CCl)N1CCCCC1

SAD-SAT-d8079f6f-3
0.381

View
O=C(CCl)N1CCCCCC1

SAD-SAT-d8079f6f-5
0.381

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NC(=O)C1CCN(C(=O)CCl)CS1

MAK-UNK-704ed37c-17
0.380

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O=C(CCl)N1CCC(Nc2ccsc2)CC1

MAK-UNK-212f693e-13
0.379

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CC(C)N(C)C(=O)C1CCN(C(=O)CCl)CC1

VIR-GIT-7b3d3065-3
0.377

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CC(C)N(C)C(=O)C1CCN(C(=O)CCl)CC1

AAR-POS-0daf6b7e-19
0.377

View
O=C(CCl)N1CCC(C(=O)N2CNCO2)CC1

MAK-UNK-704ed37c-6
0.375

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C#CCN1CCN(C(=O)CCl)CC1

TOB-UNK-c2aba166-1
0.375

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O=C(CCl)N1CCCCCCC1

SAD-SAT-d8079f6f-6
0.372

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O=C(CCl)N1CCC(C(=O)N2CCNC2)CC1

MAK-UNK-704ed37c-1
0.370

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O=C(CCl)N1CCN(C(=O)N2CCCCCC2)CC1

MAK-UNK-704ed37c-13
0.367

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CCNC(=O)N1CCN(C(=O)CCl)CC1

VIK-SYN-bf9c9ac8-2
0.367

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O=C(CCl)N1CCC(C(=O)N2CCOC2)CC1

MAK-UNK-704ed37c-3
0.364

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O=C(CCl)N1CCC(C(=O)N2CCNO2)CC1

MAK-UNK-704ed37c-5
0.364

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O=C(CCl)N1CCS(=O)(=O)CC1

SAD-SAT-bc31ec01-2
0.364

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O=C(CCl)N1CCC(C(=O)N2CCSC2)CC1

MAK-UNK-704ed37c-4
0.364

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O=C(CCl)N1CCOCC1

MAK-UNK-f983951f-21
0.364

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O=C(CCl)N1CCC(S(=O)(=O)c2cccc(F)c2)CC1

BEN-DND-76ad4ac9-7
0.361

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CC(C)NC(=O)N1CCN(C(=O)CCl)CC1

VIK-SYN-9a3d118a-1
0.360

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O=C(CCl)N1CCC(C(=O)N2CCCO2)CC1

MAK-UNK-704ed37c-2
0.357

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CCCN(CC)C(=O)C1CCN(C(=O)CCl)CC1

YOI-UNK-15f562e8-5
0.357

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Cc1cccc(NC2CCN(C(=O)CCl)CC2)c1

NIR-THE-0d6461ce-1
0.355

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Cc1cc(Cl)cc(NC2CCN(C(=O)CCl)CC2)c1

NIR-THE-0d6461ce-9
0.355

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O=C(CCl)N1CCN(C(=O)n2cccc2)CC1

MAK-UNK-52a1ef4b-1
0.353

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CS1=NC(CC(=O)N2CCN(C(=O)CCl)CC2)C=C1

SAD-SAT-1b030f84-4
0.351

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CN(CN1CCC(O)CC1)CN1CCN(C(=O)CCl)CC1

MAK-UNK-e4a48a85-14
0.351

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O=C(CCl)N1CCC(C(c2ccccc2)c2ccccc2)CC1

MAK-UNK-6ca90168-11
0.351

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O=C(CCl)N1CCN(C(O)C(O)CN2CCC(O)CC2)CC1

MAK-UNK-e4a48a85-12
0.350

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O=C(CCl)N1CNC1

MAK-UNK-95198336-4
0.350

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O=C(CCl)N1CCN(C(=O)N2C=COC2)CC1

MAK-UNK-52a1ef4b-3
0.345

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CC1CCCN(C(=O)C2CCN(C(=O)CCl)CC2)C1

MAK-UNK-750cfbcc-4
0.345

View
O=C(CCl)N1CCC(C(=O)N2CONO2)CC1

MAK-UNK-704ed37c-8
0.345

View
O=C(CCl)N1CCC(C(=O)N2CSCO2)CC1

MAK-UNK-704ed37c-9
0.345

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C[C@H]1CCCN(C(=O)C2CCN(C(=O)CCl)CC2)C1

MAR-TRE-6a44bbf2-66
0.345

View
NC(=O)C1CCN(C(=O)CCl)CN1

MAK-UNK-704ed37c-14
0.340

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NC(=O)C1CCN(C(=O)CCl)CO1

MAK-UNK-704ed37c-16
0.340

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N#CC1CCN(C(=O)CCl)C1

SAD-SAT-edc8a235-7
0.340

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CC1(C)CN(C(=O)C2CCN(C(=O)CCl)CC2)CC1N

YOI-UNK-15f562e8-2
0.339

View
O=C(CCl)N1CCC(Cc2ccsc2)CC1

MAK-UNK-212f693e-32
0.339

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O=C(NC1CCN(C(=O)CCl)CC1)c1ccccc1

AAR-POS-0daf6b7e-5
0.339

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Cc1cccc(CC2CCN(C(=O)CCl)CC2)c1

MAK-UNK-af83ef51-6
0.339

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Cc1cc(Cl)cc(CC2CCN(C(=O)CCl)CC2)c1

NIR-THE-0d6461ce-8
0.339

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Cc1ccc(S(=O)(=O)NC2CCN(C(=O)CCl)CC2)cc1

WAR-XCH-79d12f6e-4
0.339

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O=C(CCl)N1CCN(Cc2ccccc2)CC1

MAK-UNK-7c9d1431-24
0.333

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

MAR-TRE-6a44bbf2-86
0.333

View
O=C(CCl)N1CCC(Oc2ccsc2)CC1

MAK-UNK-212f693e-10
0.333

View
O=C(CCl)N1CCN(c2ncccn2)CC1

VIK-SYN-9a3d118a-4
0.333

View
O=C(CCl)N1CCN(c2ncccn2)CC1

VIK-SYN-bf9c9ac8-7
0.333

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

LON-WEI-120e5cf5-15
0.333

View
O=C(CCl)N1CCN(c2ncccn2)CC1

MAR-TRE-6a44bbf2-87
0.333

View
O=C(CCl)N1CCN(C(=O)c2ccccc2)CC1

MAK-UNK-987948f6-2
0.333

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N#CC(c1ccsc1)C1CCN(C(=O)CCl)CC1

MAK-UNK-6ca90168-22
0.328

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O=C(CCl)N1CCN(S(=O)(=O)c2ccc(C3CC3)cc2)CC1

MAK-UNK-c74072e5-8
0.328

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O=C(CCl)N1CCC(S(=O)(=O)C2=CC[SH]=C2)CC1

MAK-UNK-d4768348-6
0.328

View
O=C(CCl)N1CCC(S(=O)(=O)c2cccs2)CC1

MAK-UNK-987948f6-15
0.328

View
CN(C(=O)C1CCN(C(=O)CCl)CC1)c1ccccc1

LON-WEI-120e5cf5-5
0.328

View
O=C(Nc1ccc(Cl)cc1)C1CCN(C(=O)CCl)CC1

LON-WEI-120e5cf5-20
0.328

View
O=C(CCl)N1CCN(Cc2cscc2Cl)CC1

SAD-SAT-bc31ec01-1
0.328

View
N#Cc1ccc(CN2CCN(C(=O)CCl)CC2)cc1

MAK-UNK-6ca90168-14
0.328

View
O=C(CCl)N1CCN(Cc2ccc(Cl)cc2)CC1

MAK-UNK-7c9d1431-29
0.327

View
CC(C)(C)NC(=O)CN1CCN(C(=O)CCl)CC1

MAR-TRE-6a44bbf2-56
0.327

View
O=C(c1cccc(F)c1)C1CCN(C(=O)CCl)CC1

BEN-DND-76ad4ac9-4
0.323

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O=C(CCl)N1CCN(S(=O)(=O)C2CSCC(CCl)S2)CC1

SAD-SAT-bc31ec01-3
0.323

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NC(CCN1CCN(C(=O)CCl)CC1)N1CCC(O)CC1

MAK-UNK-e4a48a85-13
0.323

View
O=C(CCl)N1CCN(S(=O)(=O)C2=CC[SH]=N2)CC1

MAK-UNK-d4768348-4
0.322

View
O=C(CCl)N1CCN(Cc2cccc(Cl)c2)CC1

AAR-POS-d2a4d1df-35
0.322

View
O=C(CCl)N1CCN(Cc2cccc(Cl)c2)CC1

MED-COV-4280ac29-15
0.322

View
Cc1ccc(C(=O)N2CCN(C(=O)CCl)CC2)cc1

AHN-SAT-de2502ba-8
0.321

View
O=C(CCl)N1CCN(C(c2ccccc2)c2ccccc2)CC1

SIM-SYN-f15aaa3a-1
0.321

View
O=C(CCl)N1CCN(C(=O)N2C=CSC2)CC1

MAK-UNK-52a1ef4b-2
0.321

View
O=C(CCl)N1CCN(C(=O)c2ccco2)CC1

AAR-POS-d2a4d1df-29
0.321

View
O=C(CCl)N1CCN(Cc2cc(Cl)cc(Cl)c2)CC1

PAU-UNI-8cdd41c7-1
0.321

View
O=C(CCl)N1CCN(C2CC2)CC1

0.920

View
O=C(CCl)N1CCN(C2CCCC2)CC1

0.852

View
O=C(CCl)N1CCN(C2CCC2)CC1

0.852

View
O=C(CCl)N1CCN(C2CCCCC2)CC1

0.821

View
O=C(CCl)N1CCC(N2CCCC2)CC1

0.815

View
O=C(CCl)N1CCCN(C2CC2)CC1

0.793

View
CN1CCN(C2CCN(C(=O)CCl)CC2)CC1

0.793

View
O=C(CCl)N1CCC(N2CCCCC2)CC1

0.786

View
O=C(CCl)N1CCCN(C2CCCC2)CC1

0.767

View
CC1CCC(N2CCN(C(=O)CCl)CC2)CC1

0.767

View
O=C(CCl)N1CCN(C2CCOCC2)CC1

0.767

View
O=C(CCl)N1CCCC(N2CCCC2)CC1

0.733

View
CC(C)N1CCC(N2CCN(C(=O)CCl)CC2)CC1

0.719

View
CC(C)C1CCC(N2CCN(C(=O)CCl)CC2)CC1

0.697

View
CC(C)(C)OC(=O)N1CCN(C2CCN(C(=O)CCl)CC2)CC1

0.686

View
O=C(CCl)N1CCCN(C2CCOCC2)CC1

0.676

View
O=C(CCl)N1CCN(C2CCS(=O)(=O)C2)CC1

0.667

View
O=C(CCl)N1CCC(C(F)(F)F)CC1

0.667

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

0.667

View
O=C(CCl)N1CCN2CCCC2C1

0.656

View
O=C(CO)N1CCC(N2CCN(C(=O)CO)CC2)CC1

0.655

View
O=C(CCl)N1CCC(N2CCCC2)C1

0.645

View
O=C(CCl)N1CCN2CCCCC2C1

0.636

View
CN1CCN(C2CCN(C(=O)CCl)C2)CC1

0.636

View
O=C(CC1CC1)N1CCC(N2CCN(C(=O)CC3CC3)CC2)CC1

0.633

View
CN1CCCC(N2CCN(C(=O)CCl)CC2)C1

0.629

View
O=C(CCl)N1CCC(N2CCCCC2)C1

0.625

View
CC(F)(F)C1CCN(C(=O)CCl)CC1

0.625

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

0.625

View
O=C(CCl)N1CCN(C2Cc3ccccc3C2)CC1

0.618

View
C[C@H]1CN(C2CCN(C(=O)CCl)CC2)C[C@@H](C)O1

0.618

View
CCCC(=O)N1CCC(N2CCN(C(=O)CCC)CC2)CC1

0.613

View
CN(C)CC(=O)N1CCC(N2CCN(C(=O)CN(C)C)CC2)CC1

0.613

View
O=C(CCCCC(=O)N1CCN(C2CC2)CC1)N1CCN(C2CC2)CC1

0.600

View
O=C(CO)N1CCN(C2CC2)CC1

0.600

View
O=C(CCCC(=O)N1CCN(C2CC2)CC1)N1CCN(C2CC2)CC1

0.600

View
NCC(=O)N1CCN(C2CC2)CC1

0.600

View
CCN1CCN(C2CCN(C(=O)CCl)C2)CC1

0.600

View
O=C(CCl)N1CCC(C2CCCC2)CC1

0.600

View
CC(C)CC(=O)N1CCC(N2CCN(C(=O)CC(C)C)CC2)CC1

0.594

View
N#CCC(=O)N1CCC(N2CCN(C(=O)CC#N)CC2)CC1

0.594

View
O=C(CC1CCCC1)N1CCC(N2CCN(C(=O)CC3CCCC3)CC2)CC1

0.594

View
CC(=O)CCC(=O)N1CCC(N2CCN(C(=O)CCC(C)=O)CC2)CC1

0.594

View
CC(C)(C)CC(=O)N1CCC(N2CCN(C(=O)CC(C)(C)C)CC2)CC1

0.594

View
COCC(=O)N1CCC(N2CCN(C(=O)COC)CC2)CC1

0.594

View
CSCC(=O)N1CCC(N2CCN(C(=O)CSC)CC2)CC1

0.594

View
O=C(CC(F)(F)F)N1CCC(N2CCN(C(=O)CC(F)(F)F)CC2)CC1

0.594

View
O=C(CC1CCC1)N1CCC(N2CCN(C(=O)CC3CCC3)CC2)CC1

0.594

View
O=C(CN1CCCC1)N1CCC(N2CCN(C(=O)CN3CCCC3)CC2)CC1

0.594

View
O=C(CCC1CC1)N1CCC(N2CCN(C(=O)CCC3CC3)CC2)CC1

0.594

View
CC(C)(C)OCC(=O)N1CCC(N2CCN(C(=O)COC(C)(C)C)CC2)CC1

0.588

View
CC(C)(C)C1CCCN(C(=O)CCl)CC1

0.588

View
CC(C)N1CCN(C2CCN(C(=O)CCl)C2)CC1

0.583

View
O=C(CCCCCC(=O)N1CCN(C2CC2)CC1)N1CCN(C2CC2)CC1

0.581

View
O=C(CCCCCCC(=O)N1CCN(C2CC2)CC1)N1CCN(C2CC2)CC1

0.581

View
O=C(CSCC(=O)N1CCN(C2CC2)CC1)N1CCN(C2CC2)CC1

0.581

View
O=C(COCC(=O)N1CCN(C2CC2)CC1)N1CCN(C2CC2)CC1

0.581

View
O=C(CCCCCCCC(=O)N1CCN(C2CC2)CC1)N1CCN(C2CC2)CC1

0.581

View
O=C(CC1CC1)N1CCN(C2CC2)CC1

0.581

View
O=C(CN1CCN(C2CC2)CC1)N1CCN(C(=O)CN2CCN(C3CC3)CC2)CC1

0.581

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

0.581

View
O=C(CCl)N1CCC(CO)CC1

0.581

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

0.581

View
CCCCC(=O)N1CCC(N2CCN(C(=O)CCCC)CC2)CC1

0.576

View
CC(C)CCC(=O)N1CCC(N2CCN(C(=O)CCC(C)C)CC2)CC1

0.576

View
O=C(CC1OCCO1)N1CCC(N2CCN(C(=O)CC3OCCO3)CC2)CC1

0.576

View
O=C(CSC1CC1)N1CCC(N2CCN(C(=O)CSC3CC3)CC2)CC1

0.576

View
CCC(=O)N1CCN(C2CCN(C(C)=O)CC2)CC1

0.576

View
O=C(CCl)N1CCC(C2OCCO2)CC1

0.576

View
O=C(CCl)N1CCC(N2C(=O)CCC2=O)CC1

0.576

View
CC(C)(C)C1CCN(C(=O)CCl)C1

0.576

View
O=C(CCl)N1CCN(C2CCCC2O)CC1

0.571

View
O=C(CCl)N1CCN([C@@H]2CCC[C@H]2O)CC1

0.571

View
O=C(CCCCC(=O)N1CCN(C2CCCC2)CC1)N1CCN(C2CCCC2)CC1

0.562

View
O=C(CO)N1CCN(C2CCCC2)CC1

0.562

View
CCC(=O)N1CCN(C2CCCC2)CC1

0.562

View
CN(C)CC(=O)N1CCN(C2CC2)CC1

0.562

View
O=C(CS(=O)(=O)CC(=O)N1CCN(C2CC2)CC1)N1CCN(C2CC2)CC1

0.562

View
O=C(CO)N1CCN(C2CCC2)CC1

0.562

View
O=C(CCO)N1CCN(C2CC2)CC1

0.562

View
O=C(CCCC(=O)N1CCN(C2CCCC2)CC1)N1CCN(C2CCCC2)CC1

0.562

View
O=C(CCCCC(=O)N1CCN(C2CCC2)CC1)N1CCN(C2CCC2)CC1

0.562

View
O=C(CCCC(=O)N1CCN(C2CCC2)CC1)N1CCN(C2CCC2)CC1

0.562

View
NCC(=O)N1CCN(C2CCCC2)CC1

0.562

View
NCC(=O)N1CCN(C2CCC2)CC1

0.562

View
NCCC(=O)N1CCN(C2CC2)CC1

0.562

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

0.562

View
O=C(CCl)N1CCN(CC2CC2)CC1

0.562

View
O=C(CCl)N1CCC(OC2CCCC2)CC1

0.562

View
O=C(CCl)N1CCC(C(F)F)CC1

0.562

View
CSC1CCN(C(=O)CCl)CC1

0.562

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

0.562

View
CCC(C)(C)CC(=O)N1CCN(C2CC2)CC1

0.559

View
CCC(CC)CC(=O)N1CCN(C2CC2)CC1

0.559

View
CCOCC(=O)N1CCC(N2CCN(C(=O)COCC)CC2)CC1

0.559

View
COC(=O)CC(=O)N1CCC(N2CCN(C(=O)CC(=O)OC)CC2)CC1

0.559

View
CSCCC(=O)N1CCC(N2CCN(C(=O)CCSC)CC2)CC1

0.559

View
C#CCCC(=O)N1CCC(N2CCN(C(=O)CCC#C)CC2)CC1

0.559

View
C=CCCC(=O)N1CCC(N2CCN(C(=O)CCC=C)CC2)CC1

0.559

View
COCCC(=O)N1CCC(N2CCN(C(=O)CCOC)CC2)CC1

0.559

View
C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)CCl

0.186

View
CC(Cl)C(=O)N1CCN2CCC1CC2

0.170

View
CC(C)N(C)C1CCN(CCNC(=O)CCl)CC1.Cl.Cl

0.169

View
C(N1CCN(C2CCN(C)CC2)CC1)(C(Cl)Cl)=O

0.869

View
C(N1CCC(N2CCN(CCF)CC2)CC1)(C(Cl)Cl)=O

0.849

View
C(N1CCC(N(C)C)CC1)(=O)CN1CCN(C(C)=O)CC1

0.814

View
N1(C2CCN(C)CC2)CCN(C(C)=O)CC1

0.813

View
C(N1CCC(N2CCCC2)CC1)(=O)CN1CCN(C(C)=O)CC1

0.812

View


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