Molecular Properties | |
SMILES: | CCCCN(C(=O)Nc1nncn1C1CC1)c1cccc(Cl)c1 |
MW: | 333.14 |
Fraction sp3: | 0.44 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 63.05 |
cLogP: | 4.11 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
JAN-GHE-f4ca5a00-12
0.494
NAU-LAT-e1818702-1
0.494
NAU-LAT-e1818702-2
0.488
NAU-LAT-e1818702-3
0.488
BRU-CON-67e07230-1
0.470
JAN-GHE-f4ca5a00-9
0.456
NAU-LAT-e1818702-4
0.452
JAN-GHE-f4ca5a00-10
0.451
JOR-UNI-2fc98d0b-8
0.442
NAU-LAT-e1818702-6
0.437
NAU-LAT-e1818702-5
0.427
JAG-UCB-c61058a9-12
0.419
JOR-UNI-2fc98d0b-15
0.417
JAN-GHE-299e5c7e-4
0.408
MIC-UNK-cdc2493e-19
0.406
RAL-THA-5ed3c24e-3
0.402
NAU-LAT-8502cac5-3
0.402
JOR-UNI-2fc98d0b-13
0.396
JOR-UNI-2fc98d0b-14
0.396
JOR-UNI-2fc98d0b-12
0.394
JOR-UNI-2fc98d0b-2
0.393
EDG-MED-fe7487f8-6
0.389
MIK-NEW-9ae4bfeb-1
0.389
JOR-UNI-2fc98d0b-11
0.389
BRU-THA-a358fbdd-4
0.389
JAN-GHE-299e5c7e-3
0.389
MIC-UNK-cdc2493e-1
0.388
JAG-UCB-c61058a9-8
0.387
EDG-MED-fe7487f8-5
0.385
MIC-UNK-deda7a44-5
0.385
JAG-UCB-c61058a9-18
0.385
NAU-LAT-8502cac5-2
0.385
MIC-UNK-cdc2493e-15
0.382
MAT-POS-136e7878-1
0.381
EDJ-MED-c314995a-1
0.380
VLA-UCB-05e51b3f-14
0.380
RAL-THA-5ed3c24e-2
0.379
MIC-UNK-cdc2493e-23
0.378
JAN-GHE-f4ca5a00-4
0.376
ERI-UCB-9c7ec71b-1
0.376
JOH-UNI-9ad7e798-1
0.376
EDG-MED-fe7487f8-2
0.375
EDG-MED-4b32601a-1
0.375
JOR-UNI-2fc98d0b-3
0.375
EDG-MED-fe7487f8-11
0.375
MIK-NEW-7f99bfc4-1
0.375
RAL-THA-f8a0f917-3
0.375
ANT-OPE-bf404da3-1
0.375
JAN-GHE-f4ca5a00-6
0.375
JOR-UNI-2fc98d0b-17
0.375
EDJ-MED-fb79a796-2
0.373
MAT-POS-968e8d9c-1
0.372
JAG-UCB-a3ef7265-20
0.372
ERI-UCB-ce40166b-23
0.372
JAG-UCB-119787ef-1
0.372
MIC-UNK-cdc2493e-2
0.369
JOR-UNI-2fc98d0b-10
0.367
JAN-GHE-299e5c7e-1
0.367
JOR-UNI-2fc98d0b-6
0.367
MIC-UNK-cdc2493e-24
0.366
MIC-UNK-4ce148f7-2
0.365
JAN-GHE-f4ca5a00-19
0.365
RAL-THA-6ca1b233-2
0.365
MIC-UNK-cdc2493e-3
0.364
EDG-MED-fe7487f8-7
0.364
MIC-UNK-bcd487e9-3
0.364
EDG-MED-fe7487f8-4
0.362
EDG-MED-fe7487f8-10
0.362
RAL-THA-5ed3c24e-1
0.362
JOR-UNI-2fc98d0b-4
0.361
JOR-UNI-2fc98d0b-5
0.361
JOH-UNI-766085ab-1
0.361
EDJ-MED-fb79a796-1
0.359
VLA-UCB-34f3ed0c-13
0.359
JAG-UCB-c61058a9-15
0.359
ADA-UCB-dc2b944c-6
0.358
JAG-UCB-c61058a9-31
0.357
MIC-UNK-bcd487e9-2
0.356
MIC-UNK-cdc2493e-22
0.356
JOR-UNI-2fc98d0b-16
0.354
JAN-GHE-299e5c7e-5
0.353
MIC-UNK-cdc2493e-16
0.353
NAU-LAT-8502cac5-4
0.352
MIC-UNK-bcd487e9-6
0.350
MIC-UNK-bcd487e9-4
0.350
JAN-GHE-299e5c7e-2
0.350
MIC-UNK-deda7a44-2
0.349
NAU-LAT-8502cac5-5
0.347
BRU-THA-a358fbdd-5
0.347
JOR-UNI-2fc98d0b-1
0.347
MIC-UNK-4ce148f7-4
0.345
JAG-UCB-a3ef7265-17
0.345
NAU-LAT-e1818702-7
0.345
NAU-LAT-e1818702-11
0.344
RAL-THA-6ca1b233-3
0.344
RAL-THA-f8a0f917-1
0.344
JOR-UNI-2fc98d0b-9
0.343
PAU-WIS-d4065696-3
0.343
JAG-UCB-c61058a9-19
0.340
EDG-MED-0da5ad92-20
0.340