Molecular Properties | |
SMILES: | Cc1c(NC(=O)Cc2cccc(Cl)c2)cn[nH]c1=O |
MW: | 277.06 |
Fraction sp3: | 0.15 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 74.85 |
cLogP: | 1.91 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
EDG-MED-0da5ad92-21
EDG-MED-0da5ad92-21
0.651
MIC-UNK-d935700b-2
0.629
PET-UNK-8df914d1-3
0.582
TRY-UNI-714a760b-3
0.565
RUB-POS-1325a9ea-12
0.548
EDJ-MED-c8e7a002-12
0.534
EDG-MED-0da5ad92-16
0.529
RUB-POS-1325a9ea-13
0.527
VLA-UCB-00f2c2b3-7
0.521
TRY-UNI-714a760b-6
0.514
ABI-SAT-4d06482b-2
0.507
JIN-POS-6dc588a4-3
0.507
MAT-POS-c20a539d-6
0.506
MAT-POS-29385cc1-3
0.506
ADA-UCB-6c2cb422-1
0.500
EDG-MED-0da5ad92-14
0.500
EDG-MED-0da5ad92-17
0.500
MAT-POS-bb423b95-1
0.493
JAN-GHE-5a013bed-10
0.493
MAT-POS-90fd5f68-17
0.488
MAT-POS-90fd5f68-4
0.487
RUB-POS-1325a9ea-4
0.487
ALP-POS-95b75b4d-8
0.486
SAM-UNK-2684b532-13
0.486
JOH-UNI-6fede743-1
0.481
MIC-UNK-50cce87d-3
0.481
JIN-POS-6dc588a4-24
0.481
RUB-POS-1325a9ea-5
0.481
RUB-POS-1325a9ea-3
0.481
MAT-POS-bb423b95-8
0.481
ALP-POS-95b75b4d-6
0.479
MIC-UNK-66895286-1
0.478
JIN-POS-6dc588a4-11
0.474
RUB-POS-1325a9ea-17
0.474
JAN-GHE-5a013bed-9
0.471
MIC-UNK-9dc9fcd1-1
0.470
MAT-POS-c20a539d-1
0.469
MAT-POS-c20a539d-4
0.469
MAT-POS-90fd5f68-7
0.469
JIN-POS-6dc588a4-6
0.468
PET-UNK-e274cad4-6
0.468
EDJ-MED-a364e151-3
0.468
RUB-POS-1325a9ea-19
0.467
MAT-POS-bb423b95-5
0.467
MIC-UNK-9dc9fcd1-4
0.466
EDJ-MED-49816e9b-2
0.465
EDG-MED-0da5ad92-13
0.465
PET-UNK-158bee2a-3
0.465
MAT-POS-90fd5f68-41
0.463
PET-UNK-d899bab6-3
0.463
MAT-POS-c20a539d-2
0.463
MAT-POS-29385cc1-4
0.463
PET-UNK-6314f867-3
0.463
MAT-POS-90fd5f68-38
0.463
PET-UNK-b1ef24dc-3
0.462
MAT-POS-199e2e7c-2
0.462
MAT-POS-f7918075-5
0.462
JIN-POS-6dc588a4-12
0.462
JIN-POS-6dc588a4-14
0.462
JIN-POS-6dc588a4-19
0.461
MAT-POS-bb423b95-6
0.461
JOH-UNI-6fede743-3
0.461
JOH-UNI-abfda500-4
0.459
JOH-UNI-abfda500-5
0.459
ANN-UNI-98d2bf15-3
0.459
EDG-MED-0da5ad92-12
0.458
EDJ-MED-49816e9b-3
0.458
MAT-POS-90fd5f68-2
0.458
JAN-GHE-5a013bed-11
0.457
EDJ-MED-00c1612e-1
0.457
JOH-UNI-ee5ed7c8-3
0.457
PET-UNK-8df914d1-1
0.457
MAT-POS-90fd5f68-1
0.457
JOH-UNI-3fc3434e-3
0.457
RUB-POS-1325a9ea-15
0.456
JIN-POS-6dc588a4-23
0.456
RUB-POS-1325a9ea-8
0.456
MAT-POS-f7918075-4
0.456
MIC-UNK-8971c93c-1
0.456
MAT-POS-bb423b95-9
0.455
JIN-POS-6dc588a4-9
0.455
MIC-UNK-51049f1a-6
0.455
EDJ-MED-6ab52e52-1
0.455
MIC-UNK-50cce87d-2
0.455
MIC-UNK-9dc9fcd1-2
0.453
MAK-UNK-6ca90168-23
0.453
MAT-POS-c20a539d-3
0.452
MAT-POS-c20a539d-8
0.452
MAT-POS-90fd5f68-3
0.452
MAT-POS-90fd5f68-9
0.452
MAT-POS-8feb6e35-1
0.451
MAT-POS-c0609ef7-1
0.451
MAT-POS-c20a539d-5
0.451
PET-UNK-6314f867-2
0.451
MAT-POS-90fd5f68-25
0.451
MAT-POS-90fd5f68-22
0.451
EDJ-MED-c5ca5386-2
0.451
PET-UNK-d899bab6-1
0.451
RUB-POS-1325a9ea-14
0.450
RUB-POS-1325a9ea-9
0.450