Molecule Details
| Molecular Properties | |
| SMILES: | Nc1ccc2ncc(NC(=O)Cc3cccc(Cl)c3)n2c1 |
| MW: | 300.08 |
| Fraction sp3: | 0.07 |
| HBA: | 4 |
| HBD: | 2 |
| Rotatable Bonds: | 3 |
| TPSA: | 72.42 |
| cLogP: | 2.75 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
aniline
EDJ-MED-6e43a462-9
0.721
EDJ-MED-b24713dc-3
0.690
EDJ-MED-6e43a462-8
0.690
EDJ-MED-6e43a462-13
0.685
EDJ-MED-6e43a462-12
0.681
EDJ-MED-6e43a462-2
0.662
PET-UNK-8df914d1-2
0.625
EDJ-MED-6e43a462-6
0.608
EDJ-MED-6e43a462-5
0.566
EDJ-MED-b24713dc-1
0.558
EDJ-MED-6e43a462-1
0.531
EDJ-MED-6e43a462-4
0.526
EDJ-MED-b24713dc-2
0.506
EDJ-MED-b24713dc-4
0.494
EDJ-MED-6e43a462-7
0.494
EDJ-MED-6e43a462-3
0.481
PET-UNK-8df914d1-4
0.473
BEN-DND-1e24cf73-3
0.457
CAR-UNK-140e3209-1
0.453
EDJ-MED-6e43a462-11
0.440
PET-UNK-8df914d1-5
0.438
BEN-DND-1e24cf73-2
0.435
BEN-DND-1e24cf73-5
0.435
EDG-MED-0da5ad92-17
0.430
BEN-DND-02317c5c-1
0.427
BEN-DND-1e24cf73-1
0.427
JAN-GHE-5a013bed-8
0.427
JAN-GHE-5a013bed-10
0.421
BEN-DND-1e24cf73-7
0.420
JAN-GHE-5a013bed-6
0.419
JAN-GHE-5a013bed-9
0.419
EDG-MED-0da5ad92-18
0.418
EDG-MED-0da5ad92-13
0.416
EDG-MED-0da5ad92-21
0.416
PET-UNK-158bee2a-3
0.416
NAU-LAT-e1818702-10
0.413
JAN-GHE-5a013bed-7
0.413
TRY-UNI-714a760b-3
0.412
EDJ-MED-49816e9b-3
0.410
JAN-GHE-5a013bed-11
0.408
EDG-MED-0da5ad92-2
0.408
MIC-UNK-66895286-1
0.408
PET-UNK-158bee2a-4
0.408
EDJ-MED-50fe53e8-4
0.405
BEN-DND-02317c5c-9
0.405
VLA-UNK-411a133b-2
0.403
PET-UNK-158bee2a-2
0.400
BEN-DND-1e24cf73-4
0.400
ABI-SAT-4d06482b-2
0.400
PET-UNK-e44ffd04-1
0.398
BEN-DND-02317c5c-8
0.398
NAU-LAT-a5c7d7cb-12
0.398
ALP-POS-95b75b4d-8
0.397
NAU-LAT-e1818702-7
0.397
SAM-UNK-2684b532-13
0.397
JAG-UCB-a3ef7265-15
0.397
JAG-UCB-a3ef7265-17
0.397
EDJ-MED-49816e9b-2
0.397
EDG-MED-0da5ad92-16
0.397
VLA-UNK-411a133b-1
0.397
JOH-UNI-abfda500-5
0.395
AGN-NEW-c7b24fe3-5
0.395
ANN-UNI-98d2bf15-3
0.395
EDG-MED-0da5ad92-14
0.392
ALP-POS-95b75b4d-6
0.392
EDJ-MED-49816e9b-5
0.392
EDG-MED-0da5ad92-12
0.392
MAK-UNK-6ca90168-23
0.390
JAN-GHE-f4ca5a00-12
0.390
NAU-LAT-e1818702-1
0.390
BEN-DND-1e24cf73-6
0.389
JOH-UNI-6fede743-4
0.388
JIN-POS-6dc588a4-17
0.388
PET-UNK-8df914d1-3
0.388
TRY-UNI-714a760b-6
0.388
JIN-POS-6dc588a4-3
0.386
RUB-POS-1325a9ea-19
0.386
EDJ-MED-c8e7a002-8
0.384
EDJ-MED-c8e7a002-17
0.384
ALP-POS-95b75b4d-7
0.381
ALP-POS-3b848b35-3
0.381
MAT-POS-f7918075-8
0.379
RUB-POS-1325a9ea-8
0.379
JAN-GHE-5a013bed-5
0.378
AGN-NEW-c7b24fe3-4
0.378
JOH-UNI-abfda500-4
0.378
RUB-POS-1325a9ea-22
0.378
MIC-UNK-51049f1a-6
0.376
JIN-POS-6dc588a4-9
0.376
RUB-POS-1325a9ea-17
0.376
EDJ-MED-c8e7a002-12
0.376
EDJ-MED-50fe53e8-3
0.376
JIN-POS-6dc588a4-7
0.376
PET-UNK-f4e47ebd-2
0.374
VLA-UNK-4cf5aa07-2
0.373
AGN-NEW-c7b24fe3-1
0.373
EDJ-MED-a364e151-3
0.372
JIN-POS-6dc588a4-6
0.372
PET-UNK-e274cad4-6
0.372
EDJ-MED-50fe53e8-1
0.372