Molecular Properties | |
SMILES: | O=C1Nc2cnccc2C12CCN(Cc1cccc(Cl)c1)CC2 |
MW: | 327.11 |
Fraction sp3: | 0.33 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 45.23 |
cLogP: | 3.22 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAK-UNK-6435e6c2-8
SAD-SAT-7d5528d9-36
0.743
SAD-SAT-7d5528d9-15
0.537
SAD-SAT-7d5528d9-42
0.529
SAD-SAT-7d5528d9-40
0.453
SAD-SAT-7d5528d9-47
0.447
AAR-POS-0daf6b7e-29
0.423
JOH-IMS-1436231f-6
0.423
SAD-SAT-7d5528d9-52
0.413
AAR-POS-d2a4d1df-35
0.408
MED-COV-4280ac29-15
0.408
HYO-UNK-49a60884-1
0.408
JOH-UNI-0e1753c1-2
0.408
JOH-UNI-0e1753c1-3
0.408
SAD-SAT-7d5528d9-7
0.398
JOH-UNI-23d9e1b1-1
0.397
MAK-UNK-6ca90168-13
0.397
SAD-SAT-7d5528d9-18
0.393
SAD-SAT-7d5528d9-13
0.391
SAD-SAT-7d5528d9-6
0.387
SAD-SAT-7d5528d9-24
0.379
JOH-UNI-0e1753c1-1
0.378
SAD-SAT-7d5528d9-11
0.378
SAD-SAT-7d5528d9-21
0.373
SEA-TRI-9e600f3c-1
0.366
ERI-UCB-a0b0dbcb-12
0.351
SAD-SAT-7d5528d9-35
0.351
SAD-SAT-7d5528d9-53
0.347
ALP-POS-91609ae9-1
0.345
SAD-SAT-7d5528d9-46
0.344
ASH-SAT-43770c7d-3
0.341
SEA-TRI-146a67b6-1
0.337
SAD-SAT-7d5528d9-5
0.337
ALP-POS-91609ae9-2
0.333
SAD-SAT-7d5528d9-45
0.333
SAD-SAT-7d5528d9-50
0.333
SAD-SAT-7d5528d9-38
0.326
SAD-SAT-7d5528d9-54
0.326
VLA-UCB-05e51b3f-3
0.324
SAD-SAT-7d5528d9-39
0.323
MED-COV-4280ac29-13
0.322
SAD-SAT-7d5528d9-44
0.322
AVI-UNI-70b60925-1
0.320
DAN-LON-a5fc619e-1
0.318
MAR-TRE-b77b7921-33
0.316
DAN-LON-a5fc619e-10
0.315
SAD-SAT-c989feaa-5
0.312
MAR-TRE-4b834d9a-80
0.309
DAN-LON-a5fc619e-4
0.308
JOH-UNI-61f30276-1
0.308
SAD-SAT-7d5528d9-14
0.306
VLA-UNK-0ffe3317-4
0.304
SAD-SAT-7d5528d9-48
0.304
DAN-LON-a5fc619e-2
0.303
MED-COV-4280ac29-2
0.302
SAD-SAT-c989feaa-3
0.301
SAM-UNK-2684b532-14
0.301
DAR-DIA-b80f1cd7-2
0.301
AVI-UNI-c9bf710f-1
0.300
BAR-COM-ebf5acce-1
0.299
SAD-SAT-7d5528d9-31
0.296
SAD-SAT-c989feaa-7
0.295
DAN-LON-a5fc619e-5
0.295
SAD-SAT-7d5528d9-17
0.295
ALP-POS-91609ae9-3
0.294
SAD-SAT-7d5528d9-12
0.293
MAK-UNK-987948f6-12
0.293
DAR-DIA-0f7b7cd9-5
0.293
BAR-COM-ebf5acce-9
0.293
DAN-LON-a5fc619e-6
0.292
MIC-UNK-8373f97b-2
0.292
JOR-UNI-2fc98d0b-10
0.291
JOR-UNI-2fc98d0b-6
0.291
DAR-DIA-b80f1cd7-10
0.291
DAR-DIA-b80f1cd7-14
0.291
JOH-UNI-abfda500-4
0.289
JAN-GHE-83b26c96-15
0.289
JOH-UNI-abfda500-5
0.289
EDG-MED-0da5ad92-1
0.289
ANN-UNI-98d2bf15-3
0.289
JAN-GHE-83b26c96-17
0.289
DAR-DIA-b80f1cd7-12
0.288
DAR-DIA-b80f1cd7-1
0.287
MED-COV-4280ac29-3
0.287
MAK-UNK-987948f6-10
0.287
DAR-DIA-b80f1cd7-4
0.286
AAR-POS-d2a4d1df-24
0.286
JAN-GHE-d851b096-1
0.286
JOR-UNI-2fc98d0b-1
0.284
JOR-UNI-2fc98d0b-4
0.284
SAD-SAT-7d5528d9-4
0.284
PET-UNK-bbe8d7ff-1
0.284
PET-UNK-bbe8d7ff-2
0.284
JOO-PER-58e158bd-1
0.284
MAT-POS-ee51dedd-1
0.284
ALP-POS-95b75b4d-6
0.284
DAR-DIA-b80f1cd7-5
0.283
DAR-DIA-b80f1cd7-6
0.283
DAR-DIA-b80f1cd7-7
0.283
SAD-SAT-7d5528d9-1
0.283
ALP-POS-f13221e1-4
0.283