Molecule Details

Molecular Properties
SMILES:
O=C(NCCc1ccncc1)NC1CCCCC1
MW: 247.342
Fraction sp3: 0.57
HBA: 2
HBD: 2
Rotatable Bonds: 4
TPSA: 54.02
cLogP: 2.256
Covalent Warhead:
Covalent Fragment:
Source
Enamine SCR: Z111507846
Enamine REAL: Z111507846
Enamine Extended REAL: s_2554____7119254____788510
Mcule: MCULE-7444025528
MolPort: MolPort-002-007-555
CC(=O)Nc1cnccc1CCNC(=O)NC1CCCCC1

PET-SGC-c429dc17-1
0.529

View
C=CC(=O)NCc1cnccc1CCNC(=O)NC1CCCCC1

LON-WEI-af038623-1
0.507

View
O=C(Cc1ccccc1)Nc1cnccc1CCNC(=O)NC1CCCCC1

DAR-DIA-03336633-7
0.475

View
O=C(CC1CCCCC1)Nc1cnccc1CCNC(=O)NC1CCCCC1

DAR-DIA-03336633-5
0.468

View
O=C(Cc1cnccc1CCNC(=O)NC1CCCCC1)Nc1ccccc1

DAR-DIA-03336633-2
0.468

View
O=C(Nc1ccccc1)Nc1cnccc1CCNC(=O)NC1CCCCC1

HAN-NEW-5f56c3bc-3
0.463

View
O=C(Nc1ccccc1)Nc1cnccc1CCNC(=O)NC1CCCCC1

DAR-DIA-03336633-1
0.463

View
CC(=O)Nc1cnccc1CCCCNC(=O)NC1CCCCC1

MAK-UNK-f2409524-15
0.455

View
CN(CCCNC(=O)NC1CCCCC1)Cc1cncnc1

MAK-UNK-f2409524-3
0.438

View
CN1CCN(CC(=O)Nc2cnccc2CCNC(=O)NC2CCCCC2)CC1

DAR-DIA-03336633-6
0.430

View
O=C(Nc1cccc(Cl)c1)Nc1cnccc1CCNC(=O)NC1CCCCC1

DAR-DIA-03336633-3
0.425

View
CC(=O)Nc1cnccc1C(C)NCNC(=O)NC1CCCCC1

MAK-UNK-f2409524-18
0.418

View
O=C(Nc1cccnc1)NC1CCCCC1

ALE-HEI-f28a35b5-8
0.415

View
CS(=O)(=O)NCC(CCC(CCNC(=O)NC1CCCCC1)c1ccncc1)c1ccccc1

PET-SGC-a9e9d4f4-1
0.414

View
N#Cc1cccc(NC(=O)Nc2cnccc2CCNC(=O)NC2CCCCC2)c1

DAR-DIA-03336633-4
0.411

View
CC(=O)Nc1cnccc1Oc1ccccc1NCCNC(=O)NC1CCCCC1

MAK-UNK-f2409524-16
0.407

View
Cc1ccncc1NC(=O)NC1CCCCC1

TRY-UNI-714a760b-11
0.403

View
Cc1ccncc1NC(=O)NC1CCCCC1

ALE-HEI-f28a35b5-7
0.403

View
CCN/C=C1/C(=O)C(c2ccncc2NC(C)=O)=NC=C1CCNC(=O)NC1CCCCC1

MAK-UNK-f2409524-17
0.400

View
O=C(NCCC1OCC(c2cncnc2)C(O)C1O)NC1CCCCC1

MAK-UNK-f2409524-4
0.400

View
CC(=O)Nc1cnccc1Cc1ccc(CCNC(=O)NC2CCCCC2)c(-c2ccccc2Cl)c1

MAK-UNK-f2409524-36
0.396

View
CC(=O)Nc1cnccc1Cc1ccc(CCNC(=O)NC2CCCCC2)c(NC(=O)CCc2ccccc2)c1

MAK-UNK-f2409524-35
0.379

View
O=C(NCCc1ccncc1)c1ccccc1F

AAR-POS-d2a4d1df-10
0.373

View
O=C(NC(=O)c1ccccc1)NC1CCCCC1

ZAC-WAB-b0242612-1
0.369

View
CC(CNC(=O)NC1CCCCC1)NC(=O)CCNc1cncnc1

MAK-UNK-f2409524-14
0.361

View
CC(=O)Nc1cnccc1CNC(=O)C(N)CNC(=O)NC1CCCCC1

MAK-UNK-f2409524-33
0.360

View
CC(=O)NC1CCC(Oc2cncnc2)C(C)C1CCNC(=O)NC1CCCCC1

MAK-UNK-f2409524-37
0.348

View
CC(=O)Nc1cnccc1NC(C=O)NC(=O)NC1CCCCC1

MAK-UNK-f2409524-19
0.346

View
CC(=O)Nc1cnccc1COC1CCCCC1CNC(=O)NC1CCCCC1

MAK-UNK-f2409524-32
0.344

View
NS(=O)(=O)c1ccc2c(c1)N(CCC(CNC(=O)NC1CCCCC1)c1ccncc1)CCC2

PET-SGC-f913cec9-1
0.343

View
O=C(Nc1nc2ccccc2n1Cc1cncnc1)NC1CCCCC1

MAK-UNK-f2409524-7
0.341

View
O=C(CCl)NC1CCCCC1

SAD-SAT-edc8a235-1
0.339

View
CCc1nc(C)c(CC(=O)NCCc2ccncc2)c(=O)[nH]1

MAR-TRE-c8530538-90
0.333

View
CC(=O)Nc1cnccc1CNC(=O)C(NC(C)=O)NC(=O)NC1CCCCC1

MAK-UNK-f2409524-31
0.333

View
CC(=O)Nc1cnccc1CN1CC(=O)C(CNC(=O)NC2CCCCC2)C1

MAK-UNK-f2409524-34
0.333

View
Cc1c(N)cncc1NC(=O)NC1CCCCC1

TRY-UNI-714a760b-7
0.333

View
CC(=O)Nc1cnccc1NCC(=O)C(=O)NC1CCCCC1

MAK-UNK-f2409524-20
0.329

View
CC(=O)Nc1cnccc1CCC/C=C(\C)NC1CCCCC1

MAK-UNK-f2409524-27
0.325

View
NS(=O)(=O)c1ccc2c(c1)N(CCC(Cc1ccncc1)NC(=O)NC1CCCCC1)CCC2

PET-SGC-f913cec9-2
0.320

View
O=C(Nc1c(Cc2cncnc2)nc2cnccn12)NC1CCCCC1

MAK-UNK-f2409524-6
0.315

View
NS(=O)(=O)c1ccc2cccc(CN3CCN(C(=O)CCl)C(c4cnccc4CCNC(=O)NC4CCCCC4)C3)c2c1

NIM-UNI-363644a0-2
0.314

View
N#Cc1cccnc1SCC(=O)NC1CCCCC1

MAR-TRE-14ce9fd6-1
0.304

View
O=C(Cc1ccccc1)Nc1c[nH]c2nccc(NC(=O)NC3CCCCC3)c12

DAR-DIA-03336633-13
0.303

View
CC(=O)Nc1cnccc1CCC/N=C(\N)NC1CCCCC1

MAK-UNK-f2409524-2
0.302

View
O=C(CCl)CNC(=O)CC(=O)NC1CCCCC1

GIA-UNK-3f36037a-3
0.299

View
CN1CCN(C(=O)Cc2c[nH]c3ncc(CNC(=O)NC4CCCCC4)cc23)CC1

NIC-UNI-f08e2453-2
0.298

View
O=S(=O)(NCCc1ccncc1)c1ccccc1F

IND-SYN-8bc6954a-2
0.292

View
O=C(Nc1cnccc1CO)C(O)C1CCCCC1

CHA-KIN-ceadbd93-3
0.289

View
CN1CCN(CCC(=O)Nc2cccnc2CNC(=O)NC2CCCC2)CC1

SIM-DEM-2843056b-6
0.286

View
C/C(=C/CCNc1cncnc1)NC1CCCCC1

MAK-UNK-f2409524-13
0.286

View
CC(=O)Nc1cnccc1CC1CCCN(C(=O)NC2CCCCC2)C1

MAK-UNK-f2409524-28
0.286

View
O=C(NC1CCCCC1NC(=O)C1CCCCC1)c1ccncc1

GIA-UNK-d2defdc3-1
0.276

View
CC(=O)Nc1cnccc1CCC/C=C/NC1CCCCC1

MAK-UNK-f2409524-26
0.276

View
CC(=O)Nc1cnccc1CCC/N=C/NC1CCCCC1

MAK-UNK-f2409524-1
0.276

View
CC(C)CC(=O)Nc1ccc(-n2cnc(C(=O)NC3CCCCC3)c2)nc1

MAR-TRE-f6f5f473-98
0.275

View
CC(=O)Nc1cnccc1CC(COC=O)OC(=O)NC1CCCCC1

MAK-UNK-f2409524-21
0.275

View
CC(=O)Nc1ccc(-n2cnc(C(=O)NC3CCCCC3)c2)nc1

MAR-TRE-b77b7921-35
0.274

View
O=C(Cn1c(=O)n(Cc2cccnc2)c(=O)c2ncccc21)NC1CCCCC1

MAR-TRE-04c86cea-8
0.274

View
CN1CCN(C(=O)Cc2c[nH]c3nccc(NC(=O)NC4CCCCC4)c23)CC1

DAR-DIA-03336633-12
0.274

View
COCCn1cc(CC(=O)NC2CCCCC2)c2cccnc21

MAR-TRE-3159af1a-49
0.273

View
O=C(CC1CCCCC1)Nc1cnccc1S(=O)(=O)NCCc1ccccc1

MAK-UNK-b2c98f02-2
0.269

View
CCNC(=O)Nc1ccc(OCC(=O)NC2CCCC2)nc1

MAR-TRE-3e4e6814-82
0.268

View
O=C(Cc1ccccc1)Nc1cccnc1CNC(=O)NC1CC1

SIM-DEM-1d7050d3-1
0.267

View
O=C(Nc1cccc(CNC(=O)c2cncnc2)c1)NC1CC1

MAR-TRE-799db12b-51
0.267

View
Cc1ccncc1NC(=O)CC1CCCCC1

ALE-HEI-f28a35b5-6
0.267

View
Cc1ccncc1NC(=O)CC1CCCCC1

TRY-UNI-714a760b-10
0.267

View
Cc1ccncc1NC(=O)CC1CCCCC1

EDG-MED-0da5ad92-4
0.267

View
O=C(NC1CCCCC1NC(=O)c1ccncc1)c1ccccc1

GIA-UNK-d2defdc3-2
0.264

View
O=C(CC1CCCCC1)Nc1ccc(S(=O)(=O)NCCc2ccccc2)nc1

MAK-UNK-b2c98f02-3
0.264

View
O=C(NC(CCc1ccncc1)C(=O)O)c1cncnc1

MAR-TRE-4f781e27-39
0.263

View
CN(Cc1cc(CCNC(=O)c2ccccc2F)ccn1)C(=O)NC1CC1

ASH-UNK-40b46b30-4
0.263

View
O=C(Cn1c(=O)n(Cc2ccccn2)c(=O)c2ncccc21)NC1CCCCC1

MAR-TRE-04c86cea-10
0.263

View
COc1ccc(N(C(=O)CCl)C(C(=O)NC2CCCCC2)c2cccnc2)cc1Cl

JAN-GHE-76def03c-1
0.263

View
CC(=O)Nc1cnccc1NC1CCC(C2CCCCC2)CC1

MAK-UNK-f2409524-22
0.263

View
O=C(NC1CCCCC1)N(CC1CCCCC1)S(=O)(=O)c1ccccc1F

WAR-XCH-bdd24732-36
0.262

View
O=C(Nc1cccnc1)C(C1CCCCC1)S(=O)(=O)NCCc1ccccc1

MAK-UNK-b2c98f02-5
0.261

View
O=C(CC(=O)N1CCOCC1)NC1CCCCC1

GIA-UNK-3f36037a-1
0.261

View
O=C(Cn1c(=O)c(=O)n(Cc2ccccc2)c2ncccc21)NC1CCCCC1

MAR-TRE-f6f5f473-89
0.261

View
O=C(NCC1CCCCC1)c1cccnc1

SAN-PRS-52b81272-1
0.260

View
Cc1ccncc1NC(=O)C(C)C1CCCCC1

TRY-UNI-714a760b-16
0.260

View
O=C(CC1CCCCC1)Nc1cnccc1CO

CHA-KIN-ceadbd93-2
0.260

View
O=C(NC(=O)c1[nH]c2cc(Cl)ccc2c1-c1cncn1Cc1cncnc1)NC1CCCCC1

MAK-UNK-f2409524-5
0.259

View
C=CC(=O)NC(C(=O)NCC1CCCCC1)c1cccnc1

NIM-UNI-bb9030bf-10
0.259

View
Nc1ccc(NC(=O)c2cnn(CC(=O)NC3CCCCC3)c2)cn1

MAR-TRE-74c6519b-48
0.258

View
CC[C@H]1CC=C([C@@H](O)[C@@H](C(=O)NC2CCCCC2)c2cccnc2)C(=O)C1

NAM-UNK-f7c77a48-2
0.258

View
CC(=O)NCCc1ccccc1

ANT-DIA-b7f58f21-4
0.258

View
O=C(CCN1CCOCC1)Nc1cccnc1CNC(=O)NC1CC1

SIM-DEM-2843056b-1
0.258

View
O=C(Cn1c(=O)n(Cc2cccs2)c(=O)c2ncccc21)NC1CCCCC1

MAR-TRE-f6f5f473-15
0.258

View
NS(=O)(=O)c1cc(C(=O)NC2CCCCC2)c(Br)c(C(=O)N[C@H]2C[C@H]2F)c1

MED-UNK-7e7dab56-11
0.256

View
CC(=O)Nc1cncc2c1CCN(C(=O)NC1CCCCC1)C2

DOU-UNK-b5326f8f-3
0.256

View
COc1cccc(N(C(=O)CCl)C(C(=O)NC2CCCCC2)c2cccnc2)c1

JAN-GHE-76def03c-3
0.255

View
O=C(Nc1cccnc1)NC1CCC(F)CC1

FRA-FAC-9ed5a63a-3
0.253

View
O=C(NCCNc1cncnc1)C1CCCCC1

MAK-UNK-f2409524-9
0.253

View
O=C(CC1CCCCC1)Nc1cnccc1CNC(=O)NCO

CHA-KIN-ceadbd93-6
0.253

View
CC(C)CC(=O)Nc1ccc(N2CCC(C(=O)NC3CCCCC3)CC2)nc1

MAR-TRE-f6f5f473-76
0.253

View
CN1CCN(CCC(=O)Nc2ccncc2CNC(=O)NC2CC2)CC1

SIM-DEM-2843056b-4
0.253

View
O=C(Cn1c(=O)c2cc(C3CC3)nn2c2ncccc21)NC1CCCCC1

MAR-TRE-f6f5f473-70
0.253

View
C=CC(=O)N(c1ccc(C(F)(F)F)cc1)C(C(=O)NC1CCCCC1)c1cccnc1

NIM-NMI-8bb27a2b-15
0.253

View
CC(=O)Nc1cnccc1COCC(NC(=O)CN)C(=O)C(=O)NC1CCCCC1

MAK-UNK-f2409524-30
0.250

View
O=C(CCN1C(=O)c2ccccc2C1=O)Nc1cccnc1NC1CCCCC1

MAR-TRE-f6f5f473-35
0.250

View
O=C(NCCC1=CC=NC=C1)NC1CCCCC1

1.000

View
O=C(NCCC1=CC=NC=C1)NC1CCCCCC1

0.958

View
O=C(NCCC1=CC=NC=C1)NC1CCCCCCC1

0.939

View
O=C(NCCC1=CC=NC=C1)NC1CCCC1

0.917

View
O=C(NCCC1=CC=NC=C1)NC1CCC1

0.875

View
O=C(NCCC1=CC=NC=C1)NC1CC1

0.796

View
O=C(CCCNC(=O)NC1CCCCC1)NCCC1=CC=NC=C1

0.738

View
O=C(NCCCC1=CC=NC=C1)NC1CCCCC1

0.732

View
O=C(CNC(=O)NC1CCCCC1)NCCC1=CC=NC=C1

0.729

View
C[C@H]1CC[C@H](NC(=O)NCCC2=CC=NC=C2)CC1

0.714

View
O=C(NCCC1=CC=NC=C1)NC1CCC2(CCCCC2)CC1

0.712

View
O=C(NCCCC1=CC=NC=C1)NC1CCCCCC1

0.702

View
O=C(NCCC1=CC=NC=C1)NC1CCC(C2CCC2)CC1

0.702

View
O=C(NCCC1=CC=NC=C1)N[C@H]1CC[C@H](O)CC1

0.696

View
O=C(NCCC1=CC=NC=C1)N[C@H]1CC[C@@H](O)CC1

0.696

View
O=C(NCCC1=CC=NC=C1)NC1CCSCC1

0.696

View
NC[C@H]1CC[C@H](NC(=O)NCCC2=CC=NC=C2)CC1

0.690

View
CC1CCCC(NC(=O)NCCC2=CC=NC=C2)CC1

0.689

View
CC(=O)NC1CCC(NC(=O)NCCC2=CC=NC=C2)CC1

0.684

View
O=C(NCCC1=CC=NC=C1)NC1CCC(F)CC1

0.684

View
O=C(NCCC1=CC=NC=C1)NC1CCOCC1

0.684

View
CC1(C)CCC(NC(=O)NCCC2=CC=NC=C2)CC1

0.684

View
O=C(NCCC1=CC=NC=C1)NC1CCN(C2CCCCC2)CC1

0.683

View
O=C(CCCCCNC(=O)NC1CCCCC1)NCCC1=CC=NC=C1

0.682

View
O=C(NCCC1=CC=C(CO)C=C1)NC1CCCCC1

0.679

View
O=C(NCCC1=CC=NC=C1)NC1CCC(CO)CC1

0.672

View
O=C(NCCC1=CC=NC=C1)NC1CCC(F)(F)CC1

0.672

View
O=C(NCCC1=CC=NC=C1)N[C@H]1CC[C@@H](CO)CC1

0.672

View
O=C(NCCC1=CC=NC=C1)N[C@H]1CC[C@H](CO)CC1

0.672

View
O=C(NCCC1=CC=NC=C1)NC1CCC(C(=O)O)CC1

0.672

View
O=C(NCCC1=CC=NC=C1)N[C@H]1CC[C@@H](C(=O)O)CC1

0.672

View
O=C(CCC1=CC=NC=C1)NCCNC(=O)NC1CCCCC1

0.672

View
O=C(CCNC(=O)NCCC1=CC=NC=C1)NC1CCCCC1

0.672

View
O=C(NCCCC1=CC=NC=C1)NC1CCCC1

0.667

View
O=C(NCC1=CC=NC=C1)NC1CCCCC1

0.667

View
O=C(NCCC1=CC=NC=C1)NC1COC1

0.667

View
CC1=CC=C(CCNC(=O)NC2CCCCC2)C=C1

0.667

View
O=C(NCCC1=CC=NC=C1)NC1CCCOCC1

0.661

View
CCC1CCC(NC(=O)NCCC2=CC=NC=C2)CC1

0.661

View
CN1CCC(NC(=O)NCCC2=CC=NC=C2)CC1

0.661

View
O=C(NCCC1=CC=NC=C1)NC1CCCC(F)C1

0.656

View
CC1CCCC(NC(=O)NCCC2=CC=NC=C2)C1

0.656

View
O=C(NCCC1=CC=NC=C1)C(=O)NC1CCCCC1

0.655

View
O=C(NCCC1=CC=NC=C1)NC1CSC1

0.655

View
O=C(NCCC1=CC=NC=C1)NC1CCN(CC2CCCCC2)CC1

0.652

View
O=C(NCCC1=CC=NC=C1)NC1CCN(C2CCCC2)CC1

0.651

View
CC(C)C1CCCC(NC(=O)NCCC2=CC=NC=C2)CC1

0.651

View
O=C(NCCC1=CC=NC=C1)N[C@@H]1CCCNC1

0.650

View
O=C(NCCC1=CC=NC=C1)NC1CCCNC1

0.650

View
O=C(NCCC1=CC=NC=C1)N[C@H]1CCCNC1

0.650

View
O=C(CC1=CC=NC=C1)NCCNC(=O)NC1CCCCC1

0.650

View
O=C(NCCC1=CC=NC=C1)NC1CCCOC1

0.650

View
O=C(NCCCC1=CC=NC=C1)NC1CCC1

0.643

View
O=C(NCCC1=CC=NC=C1)NC1CC=CC1

0.643

View
O=C(NCCC1=CC=NC=C1)NC1CCC(N2CCCCC2)CC1

0.641

View
O=C(NCCC1=CC=NC=C1)NC1CCCSC1

0.639

View
CCN1CCC(NC(=O)NCCC2=CC=NC=C2)CC1

0.639

View
O=C(NCCC1=CC=NC=C1)NC1CCN(C2CC2)CC1

0.639

View
O=C(NCCC1=CC=C(O)C=C1)NC1CCCCCCC1

0.638

View
O=C(NCCC1=CC=C(CO)C=C1)NC1CCCCCCC1

0.638

View
O=C(NCC1=CC=NC=C1)NC1CCCCCC1

0.636

View
CC(C)(C)C1CCCC(NC(=O)NCCC2=CC=NC=C2)CC1

0.631

View
NC1CCCC(NC(=O)NCCC2=CC=NC=C2)C1

0.629

View
O=C(NCCC1=CC=NC=C1)NC1CCN(C2=CC=NC=C2)CC1

0.629

View
O=C(NCCC1=CC=NC=C1)C(=O)NC1CCCCCC1

0.627

View
O=C(NCCC1=CC=C(F)C=C1)NC1CCCCCCC1

0.627

View
O=C(NCC1=CC=NC=C1)NC1CCCCCCC1

0.625

View
O=C(NCCC1=CC=NC=C1)N[C@@H]1CCCCC[C@H]1O

0.623

View
O=C(NCCC1=CC=CN=C1)NC1CCCCCC1

0.623

View
O=C(NC1CCCCC1)NC1CCN(C(=O)NCCC2=CC=NC=C2)CC1

0.621

View
O=C(CCCNC(=O)NC1CCCCC1)NCCCC1=CC=NC=C1

0.621

View
O=C(NCCC1=CC=NC=C1)NC1CCN(CC2CCCC2)CC1

0.621

View
O=C(NCCC1=CC=NC=C1)NC1CCCS(=O)(=O)C1

0.619

View
O=C(NCCC1=CC=NC=C1)N[C@@H]1CCC[C@H](C2CC2)C1

0.619

View
O=C(NCCC1=CC=NC=C1)NC1CCN(CCC2=CC=NC=C2)CC1

0.619

View
O=C(NCCC1=CC=NC=C1)NC1CCN(CC2=CC=NC=C2)CC1

0.619

View
CN1CCCC(NC(=O)NCCC2=CC=NC=C2)C1

0.619

View
O=C(NCCC1=CC=NC=C1)C(=O)NC1CCCCCCC1

0.617

View
O=C(CNC(=O)NCCC1=CC=NC=C1)NC1CCCC1

0.613

View
O=C(NCCC1=CC=CN=C1)NC1CCCCCCC1

0.613

View
CCC1CCCC(NC(=O)NCCC2=CC=NC=C2)C1

0.609

View
O=C(NCCC1=CC=NC=C1)NC1CCC2CCCCC2C1

0.609

View
CC1CCCCC1NC(=O)NCCC1=CC=NC=C1

0.607

View
O=C(NCCC1=CC=NC=C1)NC1CCN(C2CCCCC2)C1

0.603

View
O=C(NCC1=CC=NC=C1)NC1CCCC1

0.600

View
O=C(NCCNC1CCCCCC1)NCCC1=CC=NC=C1

0.597

View
O=C(NC1CCCCC1)NC1CCN(C(=O)C(=O)NCCC2=CC=NC=C2)CC1

0.594

View
O=C(NCCCNC1CCCCC1)NCCC1=CC=NC=C1

0.594

View
O=C(NCCC1=CC=NC=C1)C(=O)NC1CCCC1

0.593

View
O=C(CNC(=O)NC1CCCCC1)NCCCC1=CC=NC=C1

0.591

View
O=C(NCCC1=CC=NC=C1)N[C@H]1CCCC[C@H]1O

0.590

View
O=C(NCCC1=CC=NC=C1)NC1CCCCC1O

0.590

View
O=C(NCCC1=CC=NC=C1)N[C@@H]1CCCC[C@H]1O

0.590

View
O=C(NCCC1=CC=NC=C1)N[C@H]1CCCC[C@@H]1O

0.590

View
O=C(NCCC1=CC=NC=C1)N[C@@H]1CCCC[C@@H]1O

0.590

View
O=C(NCCC1=CC=NC=C1)N[C@@H]1C[C@H]1C1CCCCC1

0.585

View
O=C(CNC(=O)NCCC1=CC=NC=C1)NC1CCC1

0.581

View
O=C(NCCC1=CC=NC=C1)N[C@@H]1CCCC[C@H]1F

0.571

View
O=C(NCCCC1=CC=NC=C1)NC1CC1

0.569

View
O=C(CCC(=O)NC1CCCC1)NCCC1=CC=NC=C1

0.556

View
O=C(NCCc1ccncc1)NC1CCCCC1

1.000

View
O[C@H]1CC[C@@H](CC1)NC(=O)NCCc1ccncc1 |wU:1.0,wD:4.7,(-7.34,-1.54,;-6,-.77,;-6,.77,;-4.67,1.54,;-3.33,.77,;-3.33,-.77,;-4.67,-1.54,;-2,1.54,;-.67,.77,;-.67,-.77,;.67,1.54,;2,.77,;3.33,1.54,;4.67,.77,;6,1.54,;7.34,.77,;7.34,-.77,;6,-1.54,;4.67,-.77,)|

0.696

View
O=C(NCCc1ccncc1)NC1CCCC(C1)C1CC1

0.619

View
O=C(NCCc1ccncc1)N(CC1CC1)C1CCCCC1

0.471

View
CC(Cc1ccncc1)NC(=O)NC1CCCCC11CCCC1

0.309

View
CC(NC(=O)N1CC(C1)c1ccncc1)C1CCCCC1

0.266

View
CC(NC(=O)N1CC(C1)c1ccncc1)C1CCCC1

0.241

View
CC(C)CCCC(C)NC(=O)N1CC(C1)c1ccncc1

0.225

View
N(C1CCCCC1)CCC1=CC=NC=C1

0.545

View

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