Molecule Details
| Molecular Properties | |
| SMILES: | COc1nnc2c(NC(=O)Cc3cccc(Cl)c3)c(O)ncn12 |
| MW: | 333.06 |
| Fraction sp3: | 0.14 |
| HBA: | 7 |
| HBD: | 2 |
| Rotatable Bonds: | 4 |
| TPSA: | 101.64 |
| cLogP: | 1.67 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
EDJ-MED-7bb79bc5-1
0.590
EDJ-MED-c8e7a002-17
0.524
EDJ-MED-97c1bf5c-2
0.489
JOH-UNI-6fede743-4
0.442
EDJ-MED-49816e9b-2
0.438
EDJ-MED-c8e7a002-8
0.437
EDJ-MED-c8e7a002-7
0.437
EDJ-MED-c8e7a002-4
0.427
EDG-MED-0da5ad92-18
0.422
JIN-POS-6dc588a4-21
0.420
JAG-UCB-a3ef7265-17
0.420
VLA-UNK-411a133b-1
0.420
NAU-LAT-e1818702-7
0.420
EDJ-MED-6e43a462-3
0.416
MIC-UNK-66895286-1
0.412
EDG-MED-0da5ad92-15
0.410
PET-UNK-f4e47ebd-2
0.409
VLA-UNK-411a133b-2
0.407
JIN-POS-6dc588a4-3
0.407
RUB-POS-1325a9ea-18
0.404
EDG-MED-0da5ad92-13
0.402
PET-UNK-8df914d1-4
0.402
JAG-UCB-a3ef7265-15
0.402
EDJ-MED-6e43a462-2
0.402
EDJ-MED-6e43a462-1
0.398
EDJ-MED-49816e9b-5
0.398
EDG-MED-0da5ad92-14
0.398
JOH-UNI-3fc3434e-8
0.396
JOH-UNI-ee5ed7c8-8
0.396
BEN-DND-1e24cf73-7
0.394
EDJ-MED-6e43a462-6
0.389
EDJ-MED-c8e7a002-1
0.387
EDJ-MED-b24713dc-2
0.386
JIN-POS-6dc588a4-23
0.385
JOH-UNI-6fede743-2
0.385
EDG-MED-0da5ad92-17
0.384
JAN-GHE-5a013bed-7
0.383
NAU-LAT-e1818702-10
0.383
EDJ-MED-49816e9b-3
0.381
ALP-POS-95b75b4d-6
0.381
EDG-MED-0da5ad92-12
0.381
EDJ-MED-b24713dc-4
0.380
NAU-LAT-e1818702-1
0.379
AGN-NEW-c7b24fe3-1
0.379
JAN-GHE-f4ca5a00-12
0.379
PET-UNK-f4e47ebd-1
0.379
BEN-DND-1e24cf73-6
0.379
EDG-MED-0da5ad92-2
0.378
JAN-GHE-5a013bed-11
0.378
JAN-GHE-5a013bed-8
0.378
PET-UNK-158bee2a-4
0.378
BEN-DND-1e24cf73-3
0.378
JIN-POS-6dc588a4-6
0.378
PET-UNK-8df914d1-3
0.376
BEN-DND-1e24cf73-4
0.375
EDJ-MED-6e43a462-4
0.374
EDJ-MED-076d6e64-1
0.374
JAN-GHE-5a013bed-3
0.374
JOH-UNI-6fede743-5
0.372
ABI-SAT-4d06482b-2
0.372
PET-UNK-e44ffd04-1
0.371
BEN-DND-02317c5c-8
0.371
NAU-LAT-a5c7d7cb-12
0.371
JAN-GHE-5a013bed-6
0.370
PET-UNK-158bee2a-2
0.370
JAN-GHE-5a013bed-9
0.370
EDJ-MED-c8e7a002-2
0.370
EDJ-MED-b24713dc-1
0.370
EDJ-MED-b24713dc-3
0.370
RUB-POS-1325a9ea-8
0.370
SAM-UNK-2684b532-13
0.369
ALP-POS-95b75b4d-8
0.369
EDG-MED-0da5ad92-21
0.369
PET-UNK-158bee2a-3
0.369
EDG-MED-0da5ad92-16
0.369
TRY-UNI-714a760b-3
0.368
AGN-NEW-c7b24fe3-4
0.368
AGN-NEW-c7b24fe3-5
0.368
JAN-GHE-5a013bed-5
0.367
EDJ-MED-6e43a462-9
0.367
JIN-POS-6dc588a4-7
0.367
EDJ-MED-c8e7a002-12
0.367
PET-UNK-8df914d1-2
0.367
EDJ-MED-50fe53e8-3
0.367
EDJ-MED-6e43a462-12
0.366
MIC-UNK-50cce87d-4
0.366
EDJ-MED-6e43a462-11
0.366
JIN-POS-6dc588a4-18
0.366
RUB-POS-1325a9ea-9
0.366
JOH-UNI-3fc3434e-11
0.365
JOH-UNI-ee5ed7c8-11
0.365
NAU-LAT-e1818702-9
0.363
JIN-POS-6dc588a4-17
0.363
MAT-POS-3cc264b0-1
0.363
EDJ-MED-50fe53e8-1
0.363
NAU-LAT-a5c7d7cb-11
0.363
NAU-LAT-e1818702-8
0.363
BEN-DND-02317c5c-9
0.363
EDJ-MED-50fe53e8-4
0.363
MAT-POS-c20a539d-2
0.362