Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)C1(Cc2cccc(Cl)c2)CCOCC1 |
MW: | 344.13 |
Fraction sp3: | 0.37 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 51.22 |
cLogP: | 4.02 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAK-UNK-6435e6c2-8
SAD-SAT-7d5528d9-12
0.565
SAD-SAT-7d5528d9-5
0.517
TRY-UNI-714a760b-6
0.506
ALP-POS-f13221e1-4
0.500
EDG-MED-0da5ad92-11
0.494
JAN-GHE-83b26c96-20
0.494
SAD-SAT-7d5528d9-50
0.478
SAD-SAT-7d5528d9-17
0.471
EDG-MED-0da5ad92-6
0.469
BAR-COM-0f94fc3d-25
0.460
SAD-SAT-7d5528d9-7
0.452
MAT-POS-590ac91e-27
0.446
JAN-GHE-83b26c96-9
0.430
EDG-MED-0da5ad92-5
0.430
EDG-MED-0da5ad92-3
0.429
ASH-UNK-40b46b30-11
0.427
MAK-UNK-f203cb68-18
0.424
JAN-GHE-83b26c96-22
0.424
EDG-MED-0da5ad92-10
0.424
JAN-GHE-83b26c96-8
0.422
TRY-UNI-714a760b-12
0.422
JAG-UCB-cedd89ab-8
0.422
JAN-GHE-83b26c96-10
0.420
TRY-UNI-2eddb1ff-5
0.419
JAN-GHE-83b26c96-4
0.419
TRY-UNI-2eddb1ff-4
0.419
JAN-GHE-83b26c96-5
0.419
TRY-UNI-714a760b-18
0.419
MAK-UNK-6ca90168-24
0.417
BAR-COM-0f94fc3d-38
0.416
JAN-GHE-83b26c96-23
0.414
EDG-MED-0da5ad92-19
0.412
EDG-MED-0da5ad92-20
0.411
JAN-GHE-83b26c96-17
0.407
MAT-POS-590ac91e-3
0.405
SAD-SAT-7d5528d9-13
0.400
MAT-POS-1e5f28a7-1
0.400
DAR-DIA-0cde14eb-1
0.400
VLA-UCB-05e51b3f-2
0.396
NAU-LAT-a5c7d7cb-3
0.396
DAR-DIA-0cde14eb-2
0.396
JAN-GHE-83b26c96-12
0.395
MAK-UNK-f203cb68-3
0.394
BEN-DND-93268d01-10
0.393
RIT-AID-a492ba81-1
0.392
SAM-UNK-2684b532-1
0.391
DAR-DIA-0cde14eb-3
0.391
DAR-DIA-0cde14eb-4
0.391
MAT-POS-590ac91e-29
0.391
SAD-SAT-7d5528d9-1
0.389
TRY-UNI-2eddb1ff-2
0.388
EDG-MED-0da5ad92-8
0.388
BAR-COM-ebf5acce-11
0.386
MAK-UNK-f203cb68-1
0.384
DAR-DIA-23e5a6a0-29
0.384
ALP-POS-95b75b4d-2
0.384
MAT-POS-f42f3716-5
0.382
DAR-DIA-23e5a6a0-27
0.382
MAK-UNK-6ca90168-26
0.382
SAM-UNK-2684b532-2
0.380
WIL-MOD-03b86a88-2
0.379
ASH-UNK-40b46b30-8
0.378
MAT-POS-590ac91e-4
0.376
RAL-THA-6b94ceba-15
0.376
RAL-THA-6b94ceba-5
0.376
DAR-DIA-23e5a6a0-23
0.376
DAR-DIA-23e5a6a0-25
0.376
DAR-DIA-23e5a6a0-21
0.375
MAR-TRE-67513f76-79
0.374
RAL-THA-6b94ceba-6
0.374
RAL-THA-6b94ceba-16
0.372
MAK-UNK-f203cb68-19
0.371
MAR-TRE-4b834d9a-26
0.370
DAR-DIA-0cde14eb-61
0.370
MAK-UNK-f203cb68-20
0.369
RAL-THA-6b94ceba-8
0.368
EDJ-MED-e58735b6-2
0.368
JAN-GHE-83b26c96-13
0.368
MAK-UNK-f203cb68-9
0.367
SAD-SAT-7d5528d9-6
0.367
TRY-UNI-9f475305-3
0.367
SAM-UNK-2684b532-3
0.367
SAM-UNK-2684b532-11
0.367
MAK-UNK-f203cb68-4
0.366
MAT-POS-044491d2-2
0.366
MAT-POS-136e7878-1
0.366
DAR-DIA-0cde14eb-62
0.366
ADA-UCB-6c2cb422-9
0.365
DAR-DIA-0cde14eb-14
0.365
BAR-COM-ebf5acce-1
0.365
ALP-POS-95b75b4d-1
0.364
GAB-REV-70cc3ca5-22
0.364
WIL-MOD-03b86a88-4
0.364
MAT-POS-044491d2-6
0.363
TRY-UNI-714a760b-20
0.363
BEN-DND-93268d01-6
0.363
TRY-UNI-714a760b-5
0.361
BAR-COM-0f94fc3d-28
0.361
MAT-POS-e501d84c-1
0.361
SAM-UNK-2684b532-13
0.360