Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)C1(CN2CCCC2)CCNc2ccc(Cl)cc21 |
MW: | 420.17 |
Fraction sp3: | 0.33 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 57.26 |
cLogP: | 4.68 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-ecdbc7dd-12
0.955
DAR-DIA-ecdbc7dd-9
0.953
DAR-DIA-ecdbc7dd-14
0.919
DAR-DIA-ecdbc7dd-7
0.860
DAR-DIA-ecdbc7dd-10
0.840
DAR-DIA-ecdbc7dd-19
0.840
DAR-DIA-ecdbc7dd-15
0.713
DAR-DIA-ecdbc7dd-17
0.697
DAR-DIA-ecdbc7dd-6
0.676
DAR-DIA-ecdbc7dd-3
0.663
DAR-DIA-ecdbc7dd-11
0.635
DAR-DIA-ecdbc7dd-4
0.627
DAR-DIA-ecdbc7dd-13
0.608
DAR-DIA-ecdbc7dd-2
0.578
DAR-DIA-ecdbc7dd-18
0.564
MAT-POS-d8472c4f-3
0.563
MIC-UNK-ea4eb352-3
0.563
DAR-DIA-ecdbc7dd-5
0.560
EDJ-MED-2f867453-1
0.535
EDJ-MED-15e90dfc-2
0.513
DAR-DIA-ecdbc7dd-16
0.500
MAT-POS-9db1e783-2
0.495
EDG-MED-971238d3-2
0.495
EDJ-MED-fcba3f31-7
0.492
EDG-MED-971238d3-5
0.491
MAT-POS-2bb0cf2b-1
0.491
MAT-POS-e6dd326d-1
0.491
MAT-POS-45b13633-1
0.491
MAT-POS-e6dd326d-12
0.487
RAL-THA-e002e396-11
0.486
MAT-POS-e6dd326d-2
0.486
MAT-POS-45b13633-2
0.486
MAT-POS-c7771779-1
0.486
EDJ-MED-f893e2a1-8
0.482
MAT-POS-e6dd326d-9
0.482
MAT-POS-45b13633-4
0.482
EDG-MED-971238d3-9
0.482
JAG-UCB-706446eb-3
0.482
EDG-MED-971238d3-3
0.482
EDG-MED-971238d3-6
0.482
RAL-THA-58fba2bc-3
0.482
RAL-THA-58fba2bc-1
0.482
EDG-MED-971238d3-10
0.482
EDG-MED-90036822-61
0.478
EDJ-MED-424a8a89-2
0.478
MAT-POS-45b13633-3
0.477
MAT-POS-e6dd326d-3
0.477
ALP-POS-1cbc2fae-2
0.477
EDJ-MED-fcba3f31-1
0.476
JAG-UCB-706446eb-6
0.475
MAT-POS-e6dd326d-8
0.474
RAL-THA-e002e396-12
0.474
RAL-THA-e002e396-2
0.473
RAL-THA-e002e396-1
0.473
MAT-POS-22e8b45a-3
0.473
RAL-THA-176e263b-1
0.473
MAT-POS-9db1e783-1
0.472
EDG-MED-971238d3-1
0.472
EDJ-MED-9e38fd34-2
0.471
EDJ-MED-9e38fd34-1
0.471
EDJ-MED-9e38fd34-3
0.471
RAL-THA-e002e396-10
0.471
MAT-POS-e6dd326d-6
0.470
MAT-POS-f9802937-6
0.469
MAT-POS-5d65ec79-2
0.469
RAL-THA-e002e396-6
0.469
EDG-MED-971238d3-8
0.469
MAT-POS-e6dd326d-4
0.469
EDG-MED-971238d3-7
0.469
MAT-POS-f9802937-5
0.469
EDJ-MED-d203f206-37
0.467
EDJ-MED-40433386-4
0.466
EDJ-MED-15e90dfc-5
0.466
RAL-THA-e002e396-13
0.466
EDJ-MED-28ec730d-2
0.465
MAT-POS-f9802937-4
0.465
MAT-POS-5d65ec79-1
0.465
MAT-POS-f9802937-3
0.465
MAT-POS-45b13633-5
0.465
EDJ-MED-fcba3f31-6
0.464
MAT-POS-2905de8c-1
0.463
MAT-POS-3b97339c-2
0.463
EDG-MED-971238d3-4
0.463
EDG-MED-971238d3-11
0.463
EDJ-MED-15e90dfc-1
0.463
EDJ-MED-f893e2a1-1
0.463
MAT-POS-e6dd326d-14
0.463
BEN-DND-f2e727cd-2
0.462
EDJ-MED-fcba3f31-4
0.462
EDJ-MED-40433386-10
0.462
MAT-POS-e6dd326d-11
0.461
RAL-THA-e002e396-5
0.461
ALP-POS-477dc5b7-3
0.461
EDJ-MED-fcba3f31-10
0.459
RAL-THA-eb6cb89c-2
0.459
BEN-DND-a7517465-4
0.458
MAT-POS-c74bc7b3-2
0.458
MAT-POS-2905de8c-3
0.458
EDJ-MED-e4b030d8-13
0.458
MAT-POS-c74bc7b3-1
0.458