Molecular Properties | |
SMILES: | O=C(NCCc1ccccc1Cl)Nc1cccnc1 |
MW: | 275.08 |
Fraction sp3: | 0.14 |
HBA: | 2 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 54.02 |
cLogP: | 3.1 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z900715804 |
Mcule: | MCULE-8385179348 |
AAR-POS-d2a4d1df-11
ALE-HEI-f28a35b5-15
0.550
MAK-UNK-a7b37c5e-1
0.547
MAK-UNK-d1e89583-6
0.493
MAK-UNK-d1e89583-3
0.486
MAK-UNK-d1e89583-1
0.477
SAD-SAT-689b7d5a-4
0.472
MAK-UNK-d1e89583-5
0.471
SAD-SAT-135344c3-3
0.468
SAD-SAT-135344c3-10
0.468
MAK-UNK-d1e89583-4
0.463
MAK-UNK-009ebe36-1
0.452
AAR-POS-d2a4d1df-11
0.452
SAD-SAT-135344c3-6
0.449
MAK-UNK-d1e89583-7
0.441
MAK-UNK-d1e89583-9
0.438
WIL-UNI-5578df48-14
0.427
MAK-UNK-ca11b4f7-1
0.426
WAR-XCH-6eb0722e-4
0.422
MAR-TRE-3e4e6814-54
0.422
WAR-XCH-eb7b662f-3
0.418
BAR-COM-5694a99d-4
0.418
SAD-SAT-135344c3-1
0.417
MAK-UNK-d1e89583-2
0.414
JIA-UNI-12b1f9ae-1
0.413
KEI-TRE-d5e2018a-56
0.412
DAR-DIA-23aa0b97-15
0.412
WAR-XCH-eb7b662f-7
0.406
DAR-DIA-842b4336-4
0.406
JOR-UNI-2fc98d0b-7
0.406
JAN-GHE-83b26c96-19
0.406
DAR-DIA-23aa0b97-14
0.406
AAR-UNI-c25c2f1e-16
0.405
SAD-SAT-689b7d5a-5
0.405
MAK-UNK-a7b37c5e-2
0.403
WIL-UNI-5578df48-15
0.400
MAK-UNK-009ebe36-8
0.398
BAR-COM-5694a99d-3
0.395
MAR-TRE-67513f76-81
0.393
ASH-UNK-40b46b30-7
0.393
WAR-XCH-6eb0722e-5
0.393
WIL-UNI-5578df48-26
0.392
MAK-UNK-a7b37c5e-4
0.391
BAR-COM-5694a99d-1
0.390
BAR-COM-5694a99d-5
0.390
SAD-SAT-135344c3-2
0.390
DAR-DIA-842b4336-8
0.389
WAR-XCH-eb7b662f-4
0.389
EDG-MED-0da5ad92-2
0.389
MAK-UNK-ca11b4f7-2
0.387
WAR-XCH-eb7b662f-6
0.386
WAR-XCH-6eb0722e-1
0.384
WAR-XCH-eb7b662f-5
0.384
SAN-PRS-52b81272-2
0.382
DAR-DIA-842b4336-1
0.382
MAR-TRE-3e4e6814-93
0.382
JOH-IMS-62aeb97d-5
0.381
ISA-SCH-8e98219b-4
0.380
MAK-UNK-009ebe36-5
0.379
SAD-SAT-135344c3-8
0.379
MAR-TRE-7f7bb9f0-74
0.378
BAR-COM-5694a99d-2
0.378
CHA-MCP-85291e1d-1
0.375
DAR-DIA-23aa0b97-16
0.375
NIM-UNI-7ba87d62-3
0.375
SAD-SAT-689b7d5a-6
0.375
WAR-XCH-6eb0722e-2
0.375
MAK-UNK-c749d764-17
0.375
MAK-UNK-009ebe36-7
0.375
JOH-IMS-62aeb97d-2
0.375
MAR-TRE-67513f76-93
0.373
DAR-DIA-842b4336-2
0.371
DUN-NEW-f8ce3686-8
0.371
HUB-UNK-9845d277-3
0.370
WIL-UNI-5578df48-17
0.370
WIL-UNI-5578df48-21
0.370
DAR-DIA-842b4336-7
0.370
DAR-DIA-842b4336-13
0.370
WAR-XCH-eb7b662f-2
0.368
SAD-SAT-689b7d5a-3
0.368
WIL-UNI-5578df48-2
0.368
IAN-BAS-df1706d7-1
0.367
ANN-UNI-26382800-3
0.366
AUS-ARG-7cfdce8f-11
0.366
JOH-UNK-14e6adc5-2
0.366
DAR-DIA-842b4336-3
0.366
MAK-UNK-129dcd6f-5
0.366
MAK-UNK-ca11b4f7-3
0.365
LON-WEI-120e5cf5-11
0.364
TAM-UNI-c140e31a-19
0.364
WIL-UNI-5578df48-28
0.362
SAN-PRS-52b81272-3
0.362
PET-SGC-59809fea-1
0.362
BAR-COM-21d20d65-9
0.361
WIL-UNI-5578df48-24
0.361
ALE-HEI-f28a35b5-8
0.361
LON-WEI-4d77710c-22
0.360
LON-WEI-5e7d1b3e-22
0.360
MAR-TRE-7f7bb9f0-49
0.360
DAR-DIA-842b4336-9
0.360
SAD-SAT-689b7d5a-1
0.360