Molecule Details
| Molecular Properties | |
| SMILES: | Cc1ccncc1NC(=O)C1CCN(Cc2cccc(Cl)c2)CC1 |
| MW: | 343.15 |
| Fraction sp3: | 0.37 |
| HBA: | 3 |
| HBD: | 1 |
| Rotatable Bonds: | 4 |
| TPSA: | 45.23 |
| cLogP: | 3.89 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
MAK-UNK-6435e6c2-8
SAD-SAT-7d5528d9-13
0.610
SAD-SAT-7d5528d9-6
0.583
SAD-SAT-7d5528d9-18
0.524
SAD-SAT-7d5528d9-35
0.517
TRY-UNI-714a760b-6
0.513
ALP-POS-f13221e1-4
0.488
EDG-MED-0da5ad92-6
0.475
SAD-SAT-7d5528d9-1
0.472
DAR-DIA-6a508060-12
0.456
SAD-SAT-7d5528d9-4
0.452
EDG-MED-0da5ad92-3
0.451
MAT-POS-590ac91e-18
0.449
JAN-GHE-83b26c96-8
0.443
TRY-UNI-714a760b-18
0.440
JAN-GHE-83b26c96-4
0.440
TRY-UNI-2eddb1ff-5
0.440
TRY-UNI-2eddb1ff-4
0.440
JAN-GHE-83b26c96-5
0.440
EDG-MED-0da5ad92-5
0.435
EDG-MED-0da5ad92-19
0.434
MAT-POS-590ac91e-26
0.432
MAR-TRE-4b834d9a-26
0.432
SAM-UNK-2684b532-8
0.429
MAT-POS-590ac91e-21
0.427
JAG-UCB-cedd89ab-8
0.427
TRY-UNI-714a760b-12
0.427
JAN-GHE-83b26c96-10
0.425
JOH-UNI-0e1753c1-2
0.423
MAK-UNK-6ca90168-24
0.422
BAR-COM-0f94fc3d-38
0.420
MAT-POS-b3e365b9-3
0.419
MAT-POS-b3e365b9-4
0.419
JAN-GHE-f4ca5a00-13
0.419
BRU-CON-c4e3408a-1
0.419
DAR-DIA-6a508060-6
0.419
JAN-GHE-83b26c96-9
0.419
JAN-GHE-83b26c96-23
0.419
VLA-UCB-05e51b3f-2
0.415
NAU-LAT-a5c7d7cb-3
0.415
EDG-MED-0da5ad92-20
0.415
JAN-GHE-83b26c96-20
0.414
EDG-MED-0da5ad92-11
0.414
JOH-UNI-23d9e1b1-1
0.412
MAK-UNK-6ca90168-13
0.412
MAT-POS-136e7878-1
0.412
MAK-UNK-f203cb68-18
0.412
EDG-MED-0da5ad92-10
0.412
JAN-GHE-83b26c96-17
0.412
JAN-GHE-83b26c96-22
0.412
RIT-AID-a492ba81-1
0.410
ERI-UCB-5b47150d-6
0.407
ADA-UCB-6c2cb422-2
0.407
MED-COV-4280ac29-15
0.405
AAR-POS-d2a4d1df-35
0.405
HYO-UNK-49a60884-1
0.405
JOH-UNI-0e1753c1-3
0.405
SAD-SAT-7d5528d9-21
0.405
EDJ-MED-3c65e9ce-4
0.405
MAT-POS-1e5f28a7-1
0.404
SAM-UNK-2684b532-9
0.404
SAD-SAT-7d5528d9-8
0.402
SAM-UNK-2684b532-2
0.400
BAR-COM-0f94fc3d-25
0.400
JOH-IMS-1436231f-6
0.400
AAR-POS-0daf6b7e-29
0.400
MAK-UNK-f203cb68-4
0.398
MAK-UNK-f203cb68-3
0.398
SAD-SAT-7d5528d9-49
0.398
SAD-SAT-7d5528d9-26
0.396
DAR-DIA-0cde14eb-3
0.396
SAM-UNK-2684b532-1
0.396
MAT-POS-590ac91e-19
0.395
BEN-DND-6de5dfa0-15
0.393
MAT-POS-c9973a83-1
0.393
MAT-POS-bb423b95-4
0.393
ALP-POS-95b75b4d-5
0.393
TRY-UNI-2eddb1ff-2
0.393
EDG-MED-0da5ad92-8
0.393
JOH-UNI-0e1753c1-1
0.393
MAK-UNK-f203cb68-19
0.389
SAD-SAT-7d5528d9-12
0.389
ALP-POS-95b75b4d-4
0.389
JAN-GHE-83b26c96-13
0.388
TRY-UNI-2eddb1ff-7
0.388
WIL-MOD-03b86a88-1
0.388
MAK-UNK-6ca90168-26
0.387
MAT-POS-590ac91e-22
0.386
BEN-DND-93268d01-11
0.386
SAM-UNK-2684b532-4
0.385
DAR-DIA-0cde14eb-2
0.385
MED-COV-4280ac29-13
0.384
BEN-DND-6de5dfa0-14
0.382
WIL-MOD-03b86a88-4
0.381
BEN-DND-93268d01-10
0.381
MAT-POS-590ac91e-10
0.381
ALP-POS-95b75b4d-8
0.381
SAM-UNK-2684b532-13
0.381
SAD-SAT-7d5528d9-15
0.380
DAR-DIA-56cf811e-2
0.380
MAK-UNK-6435e6c2-8
0.380