Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)C1(CN2CCOCC2)CCNc2ccc(Cl)cc21 |
MW: | 436.17 |
Fraction sp3: | 0.33 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 66.49 |
cLogP: | 3.91 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-ecdbc7dd-14
0.888
DAR-DIA-ecdbc7dd-9
0.859
DAR-DIA-ecdbc7dd-8
0.840
DAR-DIA-ecdbc7dd-12
0.823
DAR-DIA-ecdbc7dd-7
0.814
DAR-DIA-ecdbc7dd-19
0.814
DAR-DIA-ecdbc7dd-15
0.691
DAR-DIA-ecdbc7dd-5
0.680
DAR-DIA-ecdbc7dd-17
0.676
DAR-DIA-ecdbc7dd-6
0.658
DAR-DIA-ecdbc7dd-13
0.606
DAR-DIA-ecdbc7dd-4
0.579
DAR-DIA-ecdbc7dd-3
0.569
DAR-DIA-ecdbc7dd-18
0.562
DAR-DIA-ecdbc7dd-2
0.562
MAT-POS-d8472c4f-3
0.562
MIC-UNK-ea4eb352-3
0.562
DAR-DIA-ecdbc7dd-11
0.559
EDJ-MED-2f867453-1
0.519
EDJ-MED-15e90dfc-2
0.513
RAL-THA-e002e396-9
0.504
KAD-UNI-cb0f2bbc-18
0.496
MAT-POS-61f37a1a-9
0.496
EDG-MED-971238d3-2
0.495
MAT-POS-9db1e783-2
0.495
EDJ-MED-fcba3f31-7
0.492
MAT-POS-45b13633-1
0.491
EDG-MED-971238d3-5
0.491
MAT-POS-e6dd326d-1
0.491
MAT-POS-2bb0cf2b-1
0.491
DAR-DIA-ecdbc7dd-16
0.487
MAT-POS-e6dd326d-12
0.487
MAT-POS-e6dd326d-2
0.486
MAT-POS-45b13633-2
0.486
MAT-POS-e6dd326d-9
0.482
JAG-UCB-706446eb-3
0.482
EDG-MED-971238d3-9
0.482
EDG-MED-971238d3-6
0.482
EDG-MED-971238d3-10
0.482
RAL-THA-58fba2bc-3
0.482
EDG-MED-971238d3-3
0.482
MAT-POS-45b13633-4
0.482
RAL-THA-58fba2bc-1
0.482
EDG-MED-90036822-14
0.480
EDJ-MED-f893e2a1-9
0.479
MAT-POS-45b13633-5
0.478
MAT-POS-45b13633-3
0.478
MAT-POS-e6dd326d-3
0.478
ALP-POS-1cbc2fae-2
0.477
JAG-UCB-706446eb-6
0.475
MAT-POS-e6dd326d-8
0.474
RAL-THA-e002e396-2
0.474
RAL-THA-e002e396-1
0.474
RAL-THA-e002e396-11
0.474
MAT-POS-9db1e783-1
0.472
EDG-MED-971238d3-1
0.472
MAT-POS-c7771779-1
0.472
RAL-THA-e002e396-10
0.472
MAT-POS-e6dd326d-6
0.470
MAT-POS-e6dd326d-4
0.470
EDG-MED-971238d3-8
0.470
EDG-MED-971238d3-7
0.470
MAT-POS-f9802937-6
0.470
RAL-THA-e002e396-6
0.470
EDJ-MED-f893e2a1-8
0.470
MAT-POS-5d65ec79-2
0.470
MAT-POS-f9802937-5
0.470
EDJ-MED-15e90dfc-5
0.467
EDJ-MED-424a8a89-2
0.466
MAT-POS-f9802937-3
0.466
MAT-POS-f9802937-4
0.466
MAT-POS-5d65ec79-1
0.466
EDJ-MED-28ec730d-2
0.466
EDG-MED-ba1ac7b9-32
0.465
EDJ-MED-fcba3f31-6
0.465
KAD-UNI-8a629cb0-27
0.464
MAT-POS-2905de8c-1
0.464
EDG-MED-971238d3-4
0.464
EDG-MED-971238d3-11
0.464
MAT-POS-3b97339c-2
0.464
KAD-UNI-8a629cb0-39
0.463
EDJ-MED-f893e2a1-1
0.463
EDJ-MED-15e90dfc-1
0.463
MAT-POS-e6dd326d-14
0.463
EDJ-MED-40433386-10
0.462
ALP-POS-477dc5b7-3
0.462
RAL-THA-e002e396-5
0.462
RAL-THA-e002e396-12
0.462
MAT-POS-e6dd326d-11
0.462
MAT-POS-22e8b45a-3
0.460
RAL-THA-176e263b-1
0.460
RAL-THA-eb6cb89c-2
0.459
MAT-POS-2905de8c-3
0.459
DAR-DIA-6a508060-10
0.459
EDJ-MED-e4b030d8-13
0.459
MAT-POS-8e4737f4-1
0.459
BEN-DND-a7517465-4
0.459
EDJ-MED-4c7486ba-1
0.458
EDJ-MED-4c7486ba-4
0.458
MAT-POS-e6dd326d-7
0.458