Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)C1(CN2CCCCC2)CCNc2ccc(Cl)cc21 |
MW: | 434.19 |
Fraction sp3: | 0.36 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 57.26 |
cLogP: | 5.07 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-ecdbc7dd-8
0.955
DAR-DIA-ecdbc7dd-9
0.932
DAR-DIA-ecdbc7dd-14
0.898
DAR-DIA-ecdbc7dd-7
0.842
DAR-DIA-ecdbc7dd-10
0.823
DAR-DIA-ecdbc7dd-19
0.823
DAR-DIA-ecdbc7dd-15
0.698
DAR-DIA-ecdbc7dd-17
0.683
DAR-DIA-ecdbc7dd-11
0.670
DAR-DIA-ecdbc7dd-6
0.664
DAR-DIA-ecdbc7dd-3
0.635
DAR-DIA-ecdbc7dd-4
0.615
DAR-DIA-ecdbc7dd-13
0.596
DAR-DIA-ecdbc7dd-2
0.568
DAR-DIA-ecdbc7dd-18
0.554
MAT-POS-d8472c4f-3
0.552
MIC-UNK-ea4eb352-3
0.552
DAR-DIA-ecdbc7dd-5
0.550
EDJ-MED-2f867453-1
0.524
EDJ-MED-15e90dfc-2
0.504
DAR-DIA-ecdbc7dd-16
0.491
EDG-MED-971238d3-2
0.486
MAT-POS-9db1e783-2
0.486
EDJ-MED-fcba3f31-7
0.484
MAT-POS-2bb0cf2b-1
0.482
MAT-POS-e6dd326d-1
0.482
MAT-POS-45b13633-1
0.482
EDG-MED-971238d3-5
0.482
MAT-POS-e6dd326d-12
0.478
RAL-THA-e002e396-11
0.478
MAT-POS-e6dd326d-2
0.477
MAT-POS-45b13633-2
0.477
MAT-POS-c7771779-1
0.477
MAT-POS-e6dd326d-9
0.474
EDG-MED-971238d3-3
0.473
RAL-THA-58fba2bc-3
0.473
MAT-POS-45b13633-4
0.473
RAL-THA-58fba2bc-1
0.473
JAG-UCB-706446eb-3
0.473
EDG-MED-971238d3-9
0.473
EDG-MED-971238d3-6
0.473
EDG-MED-971238d3-10
0.473
EDJ-MED-40433386-4
0.471
EDG-MED-90036822-61
0.470
EDJ-MED-424a8a89-2
0.470
MAT-POS-e6dd326d-3
0.469
MAT-POS-45b13633-3
0.469
ALP-POS-1cbc2fae-2
0.468
EDJ-MED-fcba3f31-1
0.468
JAG-UCB-706446eb-6
0.467
RAL-THA-e002e396-12
0.466
MAT-POS-e6dd326d-8
0.466
RAL-THA-e002e396-1
0.465
RAL-THA-e002e396-2
0.465
RAL-THA-176e263b-1
0.464
MAT-POS-22e8b45a-3
0.464
RAL-THA-e002e396-10
0.463
EDG-MED-971238d3-1
0.463
MAT-POS-9db1e783-1
0.463
EDJ-MED-9e38fd34-2
0.462
EDJ-MED-9e38fd34-1
0.462
EDJ-MED-9e38fd34-3
0.462
RAL-THA-e002e396-3
0.462
MAT-POS-e6dd326d-6
0.462
EDJ-MED-f893e2a1-8
0.461
MAT-POS-5d65ec79-2
0.461
MAT-POS-f9802937-5
0.461
MAT-POS-e6dd326d-4
0.461
EDG-MED-971238d3-8
0.461
EDG-MED-971238d3-7
0.461
MAT-POS-f9802937-6
0.461
RAL-THA-e002e396-6
0.461
EDJ-MED-d203f206-37
0.460
EDJ-MED-15e90dfc-5
0.458
RAL-THA-e002e396-13
0.458
EDJ-MED-d203f206-42
0.457
MAT-POS-f9802937-3
0.457
MAT-POS-f9802937-4
0.457
MAT-POS-5d65ec79-1
0.457
EDJ-MED-28ec730d-2
0.457
MAT-POS-45b13633-5
0.457
EDJ-MED-fcba3f31-6
0.457
EDJ-MED-15e90dfc-1
0.455
MAT-POS-e6dd326d-14
0.455
EDJ-MED-f893e2a1-1
0.455
MAT-POS-2905de8c-1
0.455
EDJ-MED-fcba3f31-4
0.455
MAT-POS-3b97339c-2
0.455
EDG-MED-971238d3-4
0.455
EDG-MED-971238d3-11
0.455
EDJ-MED-40433386-10
0.454
BEN-DND-f2e727cd-2
0.454
MAT-POS-e6dd326d-11
0.453
ALP-POS-477dc5b7-3
0.453
RAL-THA-e002e396-5
0.453
EDJ-MED-fcba3f31-10
0.452
EDG-MED-ba1ac7b9-2
0.452
VLA-UCB-34f3ed0c-4
0.451
VLA-UCB-50c39ae8-10
0.451
VLA-UCB-05e51b3f-13
0.451