Molecule Details
| Molecular Properties | |
| SMILES: | COCC1(C(=O)Nc2cncc3ccccc23)CCOc2c(F)cc(F)cc21 |
| MW: | 384.13 |
| Fraction sp3: | 0.24 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 4 |
| TPSA: | 60.45 |
| cLogP: | 3.82 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
EDJ-MED-37aac4bd-4
0.660
MAT-POS-932d1078-2
0.660
MAT-POS-932d1078-3
0.660
MAT-POS-932d1078-4
0.622
MAT-POS-932d1078-5
0.622
EDJ-MED-37aac4bd-2
0.622
RAL-THA-e002e396-11
0.616
EDJ-MED-37aac4bd-6
0.600
PET-UNK-81b485b5-1
0.534
PET-UNK-81b485b5-15
0.534
RAL-THA-e002e396-12
0.523
ALP-POS-9c80c481-1
0.518
RAL-THA-e002e396-13
0.500
EDJ-MED-28ec730d-2
0.500
MAT-POS-fc9ede84-1
0.496
EDJ-MED-fcba3f31-4
0.496
EDJ-MED-fcba3f31-5
0.496
EDJ-MED-15e90dfc-3
0.495
MAT-POS-e6dd326d-10
0.495
EDJ-MED-424a8a89-1
0.495
RAL-THA-176e263b-2
0.495
EDJ-MED-4f704dc9-2
0.491
EDJ-MED-00143744-2
0.487
EDJ-MED-fcba3f31-7
0.487
EDJ-MED-28ec730d-1
0.486
MAT-POS-45b13633-5
0.486
MAT-POS-45b13633-3
0.486
MAT-POS-e6dd326d-3
0.486
EDJ-MED-fcba3f31-1
0.483
EDJ-MED-8c98ee63-1
0.482
RAL-THA-e002e396-5
0.482
RAL-THA-e002e396-1
0.481
RAL-THA-e002e396-2
0.481
MAT-POS-45b13633-2
0.481
MAT-POS-e6dd326d-2
0.481
RAL-THA-176e263b-3
0.481
EDJ-MED-fcba3f31-2
0.478
RAL-THA-e002e396-7
0.477
MAT-POS-e6dd326d-6
0.477
MAT-POS-e6dd326d-9
0.477
EDJ-MED-f893e2a1-8
0.477
MAT-POS-f9802937-6
0.477
MAT-POS-5d65ec79-2
0.477
MAT-POS-f9802937-5
0.477
ALP-POS-fe871b40-11
0.477
JAG-UCB-706446eb-3
0.477
EDG-MED-971238d3-6
0.477
EDG-MED-971238d3-9
0.477
MAT-POS-993cdc78-1
0.477
MAT-POS-993cdc78-2
0.477
MAT-POS-9db1e783-2
0.476
EDG-MED-971238d3-2
0.476
LEE-CAM-7ab9b158-1
0.475
EDJ-MED-fcba3f31-8
0.474
DAR-DIA-ecdbc7dd-13
0.472
EDG-MED-971238d3-5
0.472
MAT-POS-2bb0cf2b-1
0.472
MAT-POS-e6dd326d-1
0.472
MAT-POS-45b13633-1
0.472
EDJ-MED-fcba3f31-3
0.470
JAG-UCB-706446eb-2
0.469
JAG-UCB-706446eb-4
0.469
MAT-POS-e6dd326d-11
0.468
EDJ-MED-fcba3f31-10
0.466
MAT-POS-e6dd326d-4
0.464
DAR-DIA-ecdbc7dd-4
0.464
RAL-THA-e002e396-6
0.464
EDG-MED-971238d3-10
0.463
MAT-POS-45b13633-4
0.463
RAL-THA-58fba2bc-3
0.463
EDG-MED-971238d3-3
0.463
RAL-THA-58fba2bc-1
0.463
EDJ-MED-fcba3f31-9
0.463
VLA-UNK-a5257d84-1
0.462
PET-UNK-7955f415-3
0.460
DAR-DIA-ecdbc7dd-5
0.460
PET-UNK-7955f415-1
0.460
MAT-POS-f9802937-4
0.459
EDJ-MED-424a8a89-2
0.459
MAT-POS-5d65ec79-1
0.459
MAT-POS-f9802937-3
0.459
EDJ-MED-60df06f3-1
0.459
EDJ-MED-fcba3f31-6
0.459
EDJ-MED-00143744-1
0.459
KAD-UNI-8a629cb0-39
0.458
KAD-UNI-8a629cb0-26
0.458
JAG-UCB-706446eb-1
0.457
MAT-POS-e6dd326d-13
0.456
DAR-DIA-6a508060-13
0.456
MAT-POS-e6dd326d-12
0.455
ALP-POS-477dc5b7-3
0.455
EDG-MED-90036822-34
0.455
DAR-DIA-ecdbc7dd-3
0.455
KAD-UNI-8a629cb0-14
0.455
MIC-UNK-ea4eb352-8
0.453
MAT-POS-78e1d523-3
0.453
EDJ-MED-d08626de-3
0.453
MAT-POS-78e1d523-4
0.453
EDJ-MED-d08626de-4
0.453
EDJ-MED-d08626de-5
0.453