Molecular Properties | |
SMILES: | CN1CCN(CC2(C(=O)Nc3cncc4ccccc34)CCNc3ccc(Cl)cc32)CC1 |
MW: | 449.2 |
Fraction sp3: | 0.36 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 60.5 |
cLogP: | 3.83 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-ecdbc7dd-14
0.909
DAR-DIA-ecdbc7dd-9
0.879
DAR-DIA-ecdbc7dd-8
0.860
DAR-DIA-ecdbc7dd-19
0.853
DAR-DIA-ecdbc7dd-12
0.842
DAR-DIA-ecdbc7dd-10
0.814
DAR-DIA-ecdbc7dd-15
0.691
DAR-DIA-ecdbc7dd-2
0.683
DAR-DIA-ecdbc7dd-17
0.660
DAR-DIA-ecdbc7dd-6
0.658
DAR-DIA-ecdbc7dd-13
0.606
DAR-DIA-ecdbc7dd-4
0.579
MAT-POS-d8472c4f-3
0.577
MIC-UNK-ea4eb352-3
0.577
DAR-DIA-ecdbc7dd-18
0.577
DAR-DIA-ecdbc7dd-3
0.569
DAR-DIA-ecdbc7dd-11
0.559
DAR-DIA-ecdbc7dd-5
0.545
EDJ-MED-2f867453-1
0.534
EDJ-MED-15e90dfc-2
0.500
ALP-POS-1cbc2fae-2
0.491
MAT-POS-e6dd326d-12
0.487
RAL-THA-e002e396-11
0.487
MAT-POS-45b13633-2
0.486
RAL-THA-176e263b-1
0.486
MAT-POS-e6dd326d-2
0.486
MAT-POS-22e8b45a-3
0.486
MAT-POS-e6dd326d-9
0.482
EDG-MED-971238d3-2
0.482
MAT-POS-9db1e783-2
0.482
EDJ-MED-fcba3f31-7
0.480
MAT-POS-e6dd326d-3
0.478
MAT-POS-45b13633-3
0.478
MAT-POS-2bb0cf2b-1
0.477
MAT-POS-45b13633-1
0.477
EDG-MED-971238d3-5
0.477
MAT-POS-e6dd326d-1
0.477
MAT-POS-e6dd326d-14
0.475
DAR-DIA-ecdbc7dd-16
0.475
RAL-THA-e002e396-12
0.474
RAL-THA-e002e396-1
0.474
RAL-THA-e002e396-2
0.474
MAT-POS-8e4737f4-1
0.472
BEN-DND-a7517465-4
0.472
MAT-POS-c7771779-1
0.472
DAR-DIA-6a508060-10
0.472
EDJ-MED-e4b030d8-13
0.472
EDJ-MED-9e38fd34-2
0.472
EDJ-MED-9e38fd34-1
0.472
EDJ-MED-9e38fd34-3
0.472
EDJ-MED-15e90dfc-7
0.471
MAT-POS-e6dd326d-6
0.470
EDJ-MED-f893e2a1-8
0.470
PET-UNK-9bf1291a-5
0.470
MAT-POS-5d65ec79-2
0.470
MAT-POS-f9802937-5
0.470
MAT-POS-e6dd326d-4
0.470
MAT-POS-f9802937-6
0.470
RAL-THA-58fba2bc-3
0.469
EDG-MED-971238d3-3
0.469
MAT-POS-45b13633-4
0.469
RAL-THA-58fba2bc-1
0.469
PET-UNK-1abb40f2-2
0.469
PET-UNK-1abb40f2-4
0.469
JAG-UCB-706446eb-3
0.469
MIC-UNK-ea4eb352-11
0.469
NIR-THE-3fc2bec4-1
0.469
ALP-POS-fe871b40-12
0.469
EDG-MED-971238d3-9
0.469
EDG-MED-971238d3-6
0.469
EDG-MED-971238d3-10
0.469
MAT-POS-5d65ec79-1
0.466
EDJ-MED-28ec730d-2
0.466
MAT-POS-45b13633-5
0.466
EDJ-MED-424a8a89-2
0.466
MAT-POS-f9802937-3
0.466
MAT-POS-f9802937-4
0.466
ALP-UNI-0676e700-30
0.465
MAT-POS-83f73d0a-4
0.465
EDJ-MED-b1cef252-1
0.465
MAT-POS-83a7b0a0-1
0.465
MAT-POS-89bd6af1-4
0.465
MAT-POS-89e65850-1
0.464
MAT-POS-c7771779-2
0.464
EDJ-MED-70ab3faf-1
0.464
EDG-MED-971238d3-11
0.464
JAG-UCB-706446eb-6
0.463
MAT-POS-fb82b63d-2
0.463
EDJ-MED-fcba3f31-4
0.463
EDJ-MED-424a8a89-1
0.462
EDJ-MED-15e90dfc-3
0.462
RAL-THA-e002e396-5
0.462
MAT-POS-e6dd326d-8
0.462
ALP-POS-a0a4abd7-4
0.461
EDG-MED-ba1ac7b9-30
0.461
EDG-MED-ba1ac7b9-15
0.461
RAL-THA-e002e396-10
0.460
EDJ-MED-4f704dc9-1
0.459
MAT-POS-83f73d0a-3
0.459
MIC-UNK-ea4eb352-7
0.459