Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)N(c1ccccc1)c1cccc(Cl)c1 |
MW: | 337.1 |
Fraction sp3: | 0.05 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 45.23 |
cLogP: | 5.41 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
EDG-MED-0da5ad92-19
0.850
SAM-UNK-2684b532-4
0.645
EDG-MED-0da5ad92-3
0.632
EDG-MED-0da5ad92-20
0.603
MAT-POS-136e7878-1
0.518
TRY-UNI-714a760b-12
0.493
JAG-UCB-cedd89ab-8
0.493
MAK-UNK-6ca90168-24
0.486
FRA-DIA-13af2da5-1
0.477
MIC-UNK-d36ab305-5
0.477
ALP-POS-ddb41b15-2
0.474
SAM-UNK-2684b532-1
0.469
JAN-GHE-83b26c96-10
0.468
TRY-UNI-714a760b-6
0.467
MIC-UNK-d36ab305-2
0.466
JAN-GHE-83b26c96-9
0.462
ALP-POS-f13221e1-4
0.462
NAU-LAT-3f5f3993-1
0.458
JAN-GHE-83b26c96-20
0.456
EDG-MED-0da5ad92-11
0.456
MAK-UNK-f203cb68-18
0.455
JAN-GHE-83b26c96-22
0.455
EDG-MED-0da5ad92-10
0.455
JAN-GHE-83b26c96-4
0.449
TRY-UNI-2eddb1ff-5
0.449
JAN-GHE-83b26c96-5
0.449
TRY-UNI-2eddb1ff-4
0.449
TRY-UNI-714a760b-18
0.449
JAN-GHE-83b26c96-23
0.443
EDG-MED-0da5ad92-5
0.443
BAR-COM-0f94fc3d-25
0.439
ALE-HEI-f28a35b5-1
0.431
TRY-UNI-714a760b-4
0.431
EDG-MED-0da5ad92-6
0.429
BAR-COM-0f94fc3d-38
0.427
MAT-POS-1e5f28a7-1
0.427
JAN-GHE-83b26c96-8
0.417
TRY-UNI-714a760b-17
0.413
AHN-SAT-202241f6-1
0.413
CHR-SOS-1f323c23-10
0.407
MAK-UNK-6435e6c2-8
0.406
AAR-POS-d2a4d1df-3
0.406
TRY-UNI-714a760b-5
0.405
MAK-UNK-f203cb68-3
0.402
SAD-SAT-7d5528d9-7
0.400
MAR-UCB-ad2ff052-1
0.398
TRY-UNI-2eddb1ff-2
0.397
EDG-MED-0da5ad92-8
0.397
MAK-UNK-f203cb68-19
0.393
EMI-TUK-a58865cc-2
0.393
MAK-UNK-6ca90168-26
0.391
SEA-TRI-f62e8c25-1
0.391
EMI-TUK-a58865cc-3
0.390
ABI-SAT-4d06482b-1
0.390
SAM-UNK-2684b532-3
0.389
MAK-UNK-f203cb68-9
0.389
VLA-UCB-05e51b3f-2
0.389
TRY-UNI-9f475305-3
0.389
NAU-LAT-a5c7d7cb-3
0.389
TRY-UNI-2eddb1ff-3
0.388
MAK-UNK-f203cb68-21
0.387
BEN-DND-93268d01-3
0.385
JAN-GHE-83b26c96-21
0.385
BAR-COM-0f94fc3d-41
0.384
ALP-POS-ddb41b15-10
0.382
MAT-POS-f42f3716-8
0.381
CHR-SOS-1f323c23-7
0.381
SAD-SAT-7d5528d9-4
0.380
RAL-THA-6b94ceba-14
0.379
MAK-UNK-6ca90168-27
0.377
SEA-TRI-04ff6e57-1
0.376
CHR-SOS-1f323c23-4
0.376
MAK-UNK-f203cb68-1
0.376
MAR-TRE-4b834d9a-26
0.376
BEN-DND-93268d01-14
0.375
BEN-DND-93268d01-13
0.375
EDJ-MED-49816e9b-1
0.375
WIL-UNI-5578df48-2
0.375
MAK-UNK-f203cb68-4
0.372
EMI-TUK-a58865cc-1
0.372
MAK-UNK-129dcd6f-17
0.372
MAR-UCB-ad2ff052-2
0.371
ADA-UCB-6c2cb422-9
0.371
MAK-UNK-f203cb68-22
0.368
CHR-SOS-1f323c23-1
0.368
RAL-THA-6b94ceba-5
0.368
MAT-POS-136e7878-2
0.367
BEN-DND-93268d01-2
0.366
JAN-GHE-83b26c96-17
0.366
ERI-UCB-5b47150d-4
0.365
DAR-DIA-0cde14eb-78
0.365
RAL-THA-6b94ceba-6
0.365
DAR-DIA-0cde14eb-79
0.365
MAT-POS-c9973a83-1
0.365
GAB-REV-70cc3ca5-19
0.364
MAT-POS-590ac91e-6
0.364
MAK-UNK-129dcd6f-16
0.364
WIL-MOD-03b86a88-3
0.364
ERI-UCB-ce40166b-23
0.363
TRY-UNI-714a760b-24
0.361