Molecular Properties | |
SMILES: | Cc1cccc2cncc(NC(=O)Cc3cccc(Cl)c3)c12 |
MW: | 310.09 |
Fraction sp3: | 0.11 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 41.99 |
cLogP: | 4.38 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MIC-UNK-50cce87d-2
0.681
MIC-UNK-50cce87d-4
0.667
MIC-UNK-50cce87d-1
0.662
JOH-UNI-3fc3434e-3
0.627
JOH-UNI-ee5ed7c8-3
0.627
JOH-UNI-3fc3434e-1
0.610
JOH-UNI-ee5ed7c8-1
0.610
PET-UNK-8df914d1-3
0.594
MIC-UNK-67d4a29a-3
0.592
JOH-UNI-3fc3434e-2
0.560
JOH-UNI-ee5ed7c8-2
0.560
TRY-UNI-714a760b-3
0.556
ADA-UCB-6c2cb422-1
0.554
TRY-UNI-714a760b-6
0.549
MAT-POS-bb423b95-1
0.547
MAT-POS-f7918075-5
0.532
JAN-GHE-5a013bed-10
0.529
EDG-MED-0da5ad92-16
0.521
ABI-SAT-4d06482b-2
0.521
MAT-POS-199e2e7c-1
0.513
MAT-POS-bb423b95-2
0.513
MAT-POS-bb423b95-8
0.513
EDJ-MED-00c1612e-1
0.506
PET-UNK-8df914d1-1
0.506
EDG-MED-0da5ad92-21
0.500
SAM-UNK-2684b532-13
0.500
ALP-POS-95b75b4d-8
0.500
JOH-UNI-abfda500-5
0.493
ANN-UNI-98d2bf15-3
0.493
EDG-MED-0da5ad92-17
0.493
ALP-POS-95b75b4d-6
0.493
EDJ-MED-a364e151-1
0.487
MIC-UNK-d935700b-1
0.481
SAM-UNK-2684b532-12
0.481
MAT-POS-bb423b95-5
0.481
JOH-UNI-6fede743-1
0.475
JOH-UNI-abfda500-4
0.474
EDG-MED-0da5ad92-12
0.473
EDG-MED-0da5ad92-14
0.473
EDJ-MED-49816e9b-3
0.473
MIC-UNK-08cd9c58-1
0.469
MAT-POS-f7918075-3
0.469
MAT-POS-bb423b95-9
0.468
MAK-UNK-6ca90168-23
0.468
MAT-POS-14ad9fe9-1
0.464
MAT-POS-f7918075-7
0.463
ALP-POS-0c2c77e1-1
0.463
MAT-POS-bb423b95-3
0.463
EDJ-MED-a364e151-3
0.463
SAM-UNK-2684b532-11
0.462
ALP-POS-95b75b4d-7
0.456
MAK-UNK-ffc90da7-8
0.452
EDJ-MED-a364e151-2
0.451
MIC-UNK-67d4a29a-1
0.451
MAT-POS-f7918075-4
0.451
MAT-POS-f7918075-8
0.451
MIC-UNK-8971c93c-1
0.451
EDJ-MED-c8e7a002-12
0.450
ALP-POS-95b75b4d-5
0.450
MAT-POS-bb423b95-4
0.450
EDJ-MED-976da9a6-2
0.447
BEN-DND-a7517465-1
0.446
JAN-GHE-5a013bed-6
0.444
JAN-GHE-5a013bed-9
0.444
PET-UNK-8df914d1-4
0.440
EDJ-MED-49816e9b-2
0.440
EDG-MED-0da5ad92-13
0.440
MAK-UNK-ffc90da7-6
0.438
MAK-UNK-ffc90da7-5
0.436
MAK-UNK-ffc90da7-3
0.436
AGN-NEW-c7b24fe3-5
0.436
AGN-NEW-c7b24fe3-4
0.436
MIC-UNK-67d4a29a-2
0.435
JAN-GHE-5a013bed-8
0.432
EDG-MED-0da5ad92-2
0.432
EDJ-MED-976da9a6-1
0.430
MIC-UNK-67d4a29a-4
0.430
EDG-MED-0da5ad92-15
0.429
EDJ-MED-50fe53e8-2
0.427
MAT-POS-f7918075-6
0.427
JOH-UNI-3fc3434e-13
0.425
JOH-UNI-ee5ed7c8-13
0.425
EDG-MED-0da5ad92-18
0.423
RAL-THA-2d450e86-27
0.422
JAG-UCB-a3ef7265-15
0.421
VLA-UCB-00f2c2b3-7
0.420
RAL-THA-2d450e86-8
0.417
EDJ-MED-49816e9b-5
0.416
MAT-POS-4211dce8-1
0.415
RAL-THA-2d450e86-13
0.415
MIC-UNK-66895286-1
0.413
JAN-GHE-5a013bed-11
0.413
AGN-NEW-c7b24fe3-1
0.412
EDG-MED-0da5ad92-6
0.410
EDJ-MED-c8e7a002-5
0.409
PET-UNK-8df914d1-5
0.407
JOH-UNI-ee5ed7c8-5
0.407
JOH-UNI-3fc3434e-5
0.407
ALP-POS-f13221e1-3
0.405
MIC-UNK-d935700b-2
0.405