Molecular Properties | |
SMILES: | COCC1(C(=O)Nc2cncc3ccccc23)CCOc2ncc(Cl)cc21 |
MW: | 383.1 |
Fraction sp3: | 0.25 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 73.34 |
cLogP: | 3.59 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
RAL-THA-e002e396-11
0.667
ALP-POS-fe871b40-7
0.649
PET-UNK-c0891748-1
0.649
PET-UNK-c0891748-7
0.649
EDJ-MED-37aac4bd-5
0.649
MAT-POS-932d1078-5
0.639
MAT-POS-932d1078-4
0.639
EDJ-MED-37aac4bd-2
0.639
EDJ-MED-37aac4bd-3
0.600
RAL-THA-e002e396-12
0.567
RAL-THA-e002e396-13
0.557
EDJ-MED-fcba3f31-5
0.550
ALP-POS-9c80c481-1
0.546
EDJ-MED-28ec730d-2
0.543
EDJ-MED-15e90dfc-3
0.537
EDJ-MED-424a8a89-1
0.537
MAT-POS-e6dd326d-10
0.537
MAT-POS-fc9ede84-1
0.536
EDJ-MED-f893e2a1-8
0.533
MAT-POS-45b13633-3
0.529
MAT-POS-e6dd326d-3
0.529
MAT-POS-45b13633-5
0.528
EDJ-MED-28ec730d-1
0.528
MAT-POS-45b13633-2
0.524
MAT-POS-e6dd326d-2
0.524
EDJ-MED-fcba3f31-4
0.523
EDJ-MED-8c98ee63-1
0.523
MAT-POS-9db1e783-2
0.520
EDG-MED-971238d3-2
0.520
MAT-POS-f9802937-6
0.519
MAT-POS-f9802937-5
0.519
MAT-POS-5d65ec79-2
0.519
MAT-POS-e6dd326d-6
0.519
EDJ-MED-fcba3f31-2
0.518
EDG-MED-971238d3-5
0.515
MAT-POS-2bb0cf2b-1
0.515
MAT-POS-45b13633-1
0.515
MAT-POS-e6dd326d-1
0.515
EDJ-MED-fcba3f31-8
0.513
EDJ-MED-fcba3f31-7
0.513
EDJ-MED-00143744-2
0.513
RAL-THA-e002e396-2
0.509
RAL-THA-e002e396-1
0.509
MAT-POS-e6dd326d-11
0.509
MAT-POS-e6dd326d-13
0.509
EDJ-MED-fcba3f31-3
0.509
EDJ-MED-fcba3f31-1
0.508
EDJ-MED-60df06f3-1
0.508
EDJ-MED-d08626de-2
0.505
EDJ-MED-d08626de-1
0.505
PET-UNK-29afea89-2
0.505
EDG-MED-0e5afe9d-3
0.505
RAL-THA-58fba2bc-1
0.505
EDG-MED-971238d3-6
0.505
EDG-MED-971238d3-9
0.505
JAG-UCB-706446eb-3
0.505
EDG-MED-971238d3-10
0.505
EDJ-MED-4f704dc9-2
0.505
RAL-THA-58fba2bc-3
0.505
MAT-POS-45b13633-4
0.505
EDG-MED-971238d3-3
0.505
MAT-POS-e6dd326d-4
0.505
MAT-POS-e6dd326d-9
0.505
EDJ-MED-fcba3f31-10
0.504
EDJ-MED-fcba3f31-9
0.500
EDJ-MED-424a8a89-2
0.500
PET-UNK-7955f415-1
0.500
PET-UNK-7955f415-3
0.500
DAR-DIA-ecdbc7dd-13
0.500
MAT-POS-5d65ec79-1
0.500
LEE-CAM-7ab9b158-1
0.500
MAT-POS-f9802937-3
0.500
MAT-POS-f9802937-4
0.500
EDJ-MED-fcba3f31-6
0.496
EDJ-MED-00143744-1
0.496
LEE-CAM-7ab9b158-3
0.496
DAR-DIA-6a508060-13
0.495
JAG-UCB-706446eb-2
0.495
JAG-UCB-706446eb-4
0.495
ALP-POS-477dc5b7-3
0.495
RAL-THA-e002e396-5
0.495
EDG-MED-90036822-34
0.495
MAT-POS-e6dd326d-12
0.495
MAT-POS-9db1e783-1
0.495
EDG-MED-971238d3-1
0.495
EDJ-MED-15e90dfc-7
0.491
EDJ-MED-4c7486ba-1
0.491
EDG-MED-70ae9412-2
0.491
EDJ-MED-4c7486ba-4
0.491
MAT-POS-e6dd326d-7
0.491
RAL-THA-e002e396-7
0.491
EDG-MED-971238d3-8
0.491
RAL-THA-e002e396-6
0.491
EDG-MED-971238d3-7
0.491
DAR-DIA-ecdbc7dd-4
0.491
EDJ-MED-fcba3f31-12
0.487
EDJ-MED-d203f206-20
0.487
MAT-POS-e6dd326d-5
0.486
PET-UNK-3bb57da2-3
0.486
ALP-POS-fe871b40-8
0.486