Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)N(CCC1CCCCC1)c1cccc(Cl)c1 |
MW: | 371.18 |
Fraction sp3: | 0.43 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 45.23 |
cLogP: | 6.05 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAT-POS-136e7878-2
0.667
JOR-UNI-2fc98d0b-12
0.651
MAT-POS-53907a1c-2
0.637
VLA-UCB-05e51b3f-14
0.636
EDJ-MED-c314995a-1
0.636
MAR-UCB-ad2ff052-3
0.604
DAR-DIA-1d7f034a-1
0.604
MIC-UNK-cdc2493e-1
0.596
EDG-MED-0da5ad92-20
0.581
EDG-MED-0da5ad92-3
0.564
MAT-UCB-93f6aed8-2
0.564
JOR-UNI-2fc98d0b-8
0.548
EDG-MED-0da5ad92-19
0.544
MIC-UNK-ea979c74-4
0.533
RAY-UNI-5365d7e5-1
0.520
SAM-UNK-2684b532-2
0.518
EDG-MED-0da5ad92-4
0.475
ALE-HEI-f28a35b5-6
0.475
TRY-UNI-714a760b-10
0.475
SAM-UNK-2684b532-4
0.462
MAT-POS-173a45da-1
0.459
MIC-UNK-bcd487e9-2
0.459
JOR-UNI-61e7b1d5-18
0.458
MIC-UNK-cdc2493e-2
0.455
MIC-UNK-cdc2493e-15
0.455
VLA-UCB-34f3ed0c-2
0.444
ALP-POS-3fc1724e-7
0.437
MAR-UCB-ad2ff052-2
0.426
MIC-UNK-bcd487e9-3
0.424
MAK-UNK-6ca90168-24
0.424
TRY-UNI-714a760b-6
0.424
JOR-UNI-2fc98d0b-17
0.423
BAR-COM-0f94fc3d-38
0.422
ALP-POS-f13221e1-4
0.420
EDG-MED-0da5ad92-5
0.420
CHA-KIN-f512e507-2
0.418
EDG-MED-0da5ad92-11
0.416
JAN-GHE-83b26c96-20
0.416
MAK-UNK-f203cb68-18
0.414
JAN-GHE-83b26c96-22
0.414
EDG-MED-0da5ad92-10
0.414
SAD-SAT-7d5528d9-7
0.412
CHA-KIN-f512e507-1
0.412
MAT-POS-53907a1c-3
0.412
JAG-UCB-cedd89ab-8
0.412
TRY-UNI-714a760b-12
0.412
ALP-POS-ddb41b15-2
0.411
JAN-GHE-83b26c96-10
0.411
TRY-UNI-714a760b-11
0.410
ALE-HEI-f28a35b5-7
0.410
ADA-UCB-dc2b944c-3
0.410
ADA-UCB-dc2b944c-17
0.410
JOR-UNI-2fc98d0b-11
0.408
ADA-UCB-dc2b944c-2
0.407
JOR-UNI-2fc98d0b-15
0.406
ALP-POS-3fc1724e-5
0.405
JAN-GHE-83b26c96-23
0.404
NAU-LAT-3f5f3993-1
0.404
VLA-UCB-34f3ed0c-6
0.404
BAR-COM-0f94fc3d-25
0.402
JOR-UNI-2fc98d0b-13
0.400
JAN-GHE-83b26c96-8
0.398
JOR-UNI-2fc98d0b-2
0.398
MAT-UCB-93f6aed8-1
0.396
MAT-UCB-70f7c0f7-5
0.396
CHA-KIN-f512e507-3
0.396
MAR-UCB-ad2ff052-1
0.396
MIC-UNK-cdc2493e-19
0.396
MIC-UNK-bcd487e9-4
0.394
TRY-UNI-2eddb1ff-5
0.393
JAN-GHE-83b26c96-4
0.393
TRY-UNI-2eddb1ff-4
0.393
JAN-GHE-83b26c96-5
0.393
TRY-UNI-714a760b-18
0.393
EDG-MED-0da5ad92-6
0.391
JAN-GHE-83b26c96-9
0.389
ADA-UCB-dc2b944c-6
0.389
JOR-UNI-2fc98d0b-9
0.387
BEN-DND-22e6b372-4
0.386
JOR-UNI-2fc98d0b-6
0.386
MAK-UNK-f203cb68-3
0.385
MIC-UNK-cdc2493e-24
0.385
PET-UNK-a17c93d1-1
0.383
ALF-EVA-650655fc-3
0.383
MIC-UNK-cdc2493e-3
0.382
MIC-UNK-cdc2493e-23
0.382
ALF-EVA-650655fc-5
0.382
JAN-GHE-f4ca5a00-11
0.381
JOR-UNI-61e7b1d5-9
0.381
MIC-UNK-bcd487e9-6
0.381
TRY-UNI-714a760b-16
0.379
ERI-UCB-ce40166b-23
0.378
VLA-UCB-34f3ed0c-13
0.377
ERI-UCB-5b47150d-6
0.376
MAT-POS-1e5f28a7-1
0.376
MAR-TRE-4b834d9a-26
0.376
MIC-UNK-cdc2493e-22
0.374
NAU-LAT-a5c7d7cb-3
0.374
VLA-UCB-05e51b3f-2
0.374
JOR-UNI-2fc98d0b-16
0.374