Molecule Details
| Molecular Properties | |
| SMILES: | NC(=O)c1ccncc1NC(=O)Cc1cccc(Cl)c1 |
| MW: | 289.06 |
| Fraction sp3: | 0.07 |
| HBA: | 3 |
| HBD: | 2 |
| Rotatable Bonds: | 4 |
| TPSA: | 85.08 |
| cLogP: | 2.02 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
ANN-UNI-98d2bf15-3
1.000
JOH-UNI-abfda500-4
0.767
ALP-POS-95b75b4d-8
0.645
SAM-UNK-2684b532-13
0.645
ALP-POS-95b75b4d-6
0.635
TRY-UNI-714a760b-6
0.625
SAM-UNK-2684b532-12
0.612
ALP-POS-95b75b4d-7
0.603
MAK-UNK-6ca90168-23
0.597
MAT-POS-bb423b95-5
0.588
SAM-UNK-2684b532-11
0.588
MAT-POS-bb423b95-1
0.571
MAT-POS-bb423b95-4
0.571
ALP-POS-95b75b4d-5
0.571
ALP-POS-0c2c77e1-1
0.563
MAT-POS-bb423b95-3
0.563
MAT-POS-f7918075-5
0.556
JAN-GHE-5a013bed-10
0.554
MAT-POS-bb423b95-9
0.549
JAN-GHE-5a013bed-8
0.538
EDG-MED-0da5ad92-2
0.538
TRY-UNI-714a760b-3
0.536
PET-UNK-8df914d1-3
0.529
ABI-SAT-4d06482b-2
0.522
ADA-UCB-6c2cb422-1
0.514
MAT-POS-bb423b95-2
0.514
JAN-GHE-5a013bed-9
0.508
JOH-UNI-abfda500-7
0.507
MIC-UNK-50cce87d-2
0.507
EDG-MED-0da5ad92-16
0.500
EDG-MED-0da5ad92-21
0.500
JOH-UNI-ee5ed7c8-1
0.494
JOH-UNI-3fc3434e-1
0.494
MIC-UNK-50cce87d-3
0.493
MAT-POS-bb423b95-8
0.493
MIC-UNK-50cce87d-1
0.493
AGN-NEW-c7b24fe3-5
0.493
EDG-MED-0da5ad92-17
0.493
EDG-MED-0da5ad92-14
0.493
MAT-POS-f7918075-3
0.487
MIC-UNK-08cd9c58-1
0.487
EDJ-MED-c8e7a002-12
0.486
JOH-UNI-61f30276-4
0.481
MIC-UNK-50cce87d-4
0.481
MAT-POS-f7918075-7
0.481
EDJ-MED-a364e151-3
0.480
MAT-POS-199e2e7c-1
0.474
AGN-NEW-c7b24fe3-4
0.472
EDG-MED-0da5ad92-12
0.471
JAN-GHE-5a013bed-11
0.471
MIC-UNK-66895286-1
0.471
JOH-UNI-ee5ed7c8-3
0.468
PET-UNK-8df914d1-1
0.468
JOH-UNI-3fc3434e-3
0.468
EDJ-MED-00c1612e-1
0.468
EDJ-MED-a364e151-1
0.468
EDJ-MED-a364e151-2
0.468
MAT-POS-f7918075-4
0.468
MIC-UNK-8971c93c-1
0.468
MAT-POS-f7918075-8
0.468
AGN-NEW-c7b24fe3-1
0.466
EDG-MED-0da5ad92-6
0.465
JAN-GHE-5a013bed-6
0.463
EDJ-MED-976da9a6-1
0.463
EDJ-MED-976da9a6-2
0.463
MAT-POS-14ad9fe9-1
0.463
EDJ-MED-50fe53e8-2
0.461
MAT-POS-f7918075-6
0.461
ANN-UNI-98d2bf15-2
0.459
MIC-UNK-d935700b-1
0.459
EDG-MED-0da5ad92-18
0.458
PET-UNK-8df914d1-4
0.457
EDG-MED-0da5ad92-13
0.457
JAN-GHE-5a013bed-7
0.456
NAU-LAT-e1818702-10
0.456
EDJ-MED-c8e7a002-16
0.455
JOH-UNI-6fede743-1
0.455
VLA-UCB-00f2c2b3-7
0.453
EDJ-MED-49816e9b-3
0.451
EDG-MED-0da5ad92-15
0.444
ALP-POS-f13221e1-4
0.440
JOH-UNI-ee5ed7c8-2
0.437
JOH-UNI-3fc3434e-2
0.437
EDJ-MED-49816e9b-2
0.437
NAU-LAT-e1818702-7
0.437
JAG-UCB-a3ef7265-17
0.437
JAG-UCB-a3ef7265-15
0.437
DAR-DIA-0cde14eb-2
0.436
MIC-UNK-d935700b-2
0.436
MAT-POS-bb423b95-6
0.434
JOH-UNI-6fede743-3
0.434
ALP-POS-3b848b35-3
0.434
JAN-GHE-83b26c96-15
0.432
EDG-MED-0da5ad92-1
0.432
EDJ-MED-49816e9b-5
0.431
MAT-POS-4211dce8-1
0.429
JAN-GHE-83b26c96-13
0.425
ALP-POS-95b75b4d-2
0.425
EDJ-MED-e58735b6-2
0.425
EDJ-MED-50fe53e8-1
0.423