Molecule Details
| Molecular Properties | |
| SMILES: | CNC(=O)CN1Cc2ccc(Cl)cc2C2(CCN(c3cncc4ccccc34)C2)C1 |
| MW: | 420.17 |
| Fraction sp3: | 0.33 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 48.47 |
| cLogP: | 3.6 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
![O=C1C[C@]2(CCOc3ccc(Cl)cc32)C(=O)N1c1cncc2ccccc12](/static/images/loading.7a8cbb7079d7.gif)
VLA-UCB-50c39ae8-2
EDJ-MED-3656d29d-1
0.701
EDJ-MED-8bb691af-7
0.644
EDJ-MED-8bb691af-3
0.630
EDJ-MED-8bb691af-2
0.600
LUO-POS-f7b1afe6-3
0.588
LUO-POS-868e8996-12
0.583
EDJ-MED-8bb691af-4
0.583
MAT-POS-c7726e07-5
0.583
LUO-POS-868e8996-11
0.583
MAT-POS-c7726e07-6
0.583
LUO-POS-f7b1afe6-4
0.577
MAT-POS-50a80394-7
0.577
ALP-POS-133e7cd9-1
0.571
PET-UNK-94036022-14
0.562
MAT-POS-ddfe83c6-4
0.562
PET-UNK-94036022-7
0.562
VLA-MRT-8c78ee15-3
0.562
VLA-MRT-a639d434-1
0.562
PET-UNK-eeb64427-3
0.556
PET-UNK-eeb64427-6
0.556
LUO-POS-e1dab717-17
0.551
MAT-POS-1bed62cf-3
0.547
MAT-POS-50a80394-4
0.547
LUO-POS-e1dab717-18
0.547
MAT-POS-50a80394-5
0.547
JOH-MSK-1f2dff76-1
0.547
JOH-MSK-1f2dff76-2
0.547
MAT-POS-ddfe83c6-3
0.542
MAT-POS-ddfe83c6-5
0.542
PET-UNK-eeb64427-4
0.541
PET-UNK-eeb64427-1
0.541
MAT-POS-ddfe83c6-2
0.537
MIC-UNK-eb20c3e1-1
0.537
MIK-ENA-4a1c9a78-1
0.536
MIK-ENA-1494235a-1
0.536
MIK-ENA-4ed700b1-1
0.536
PET-UNK-eeb64427-2
0.532
EDJ-MED-24007d8a-1
0.532
PET-UNK-eeb64427-5
0.532
MAT-POS-50a80394-6
0.527
MAT-POS-983b399a-2
0.515
EDJ-MED-159244ea-2
0.515
MAT-UNK-28cf4d29-1
0.500
MAT-POS-89bd6af1-3
0.500
ALP-POS-e266d783-2
0.500
MAT-POS-e75f6e44-4
0.491
EDJ-MED-6b23330e-5
0.491
LUO-POS-e1dab717-19
0.491
MAT-POS-69786b79-3
0.487
MAT-POS-ddfe83c6-6
0.486
MAT-POS-89bd6af1-4
0.486
EDJ-MED-b1cef252-1
0.486
MAT-POS-83a7b0a0-1
0.486
MAT-POS-e75f6e44-6
0.483
ALP-POS-ecbed2ba-14
0.482
EDJ-MED-6b23330e-7
0.478
EDJ-MED-6b23330e-1
0.478
EDJ-MED-6b23330e-2
0.478
VLA-UNK-5d8210f0-1
0.478
VLA-UNK-5d8210f0-4
0.478
ALP-POS-c3a90b22-6
0.478
VLA-MRT-8c78ee15-4
0.477
VLA-MRT-a639d434-2
0.477
EDJ-MED-b6c6ee2b-2
0.474
MAT-POS-38eb6498-5
0.474
EDJ-MED-6b23330e-4
0.474
MAT-POS-e75f6e44-7
0.474
MAT-POS-1d5ab790-2
0.474
MAT-POS-b4d6b7fc-6
0.474
VLA-UNK-5d8210f0-2
0.474
EDJ-MED-6b23330e-6
0.470
MAT-POS-e75f6e44-19
0.470
ALP-POS-ecbed2ba-12
0.470
MAT-POS-69786b79-2
0.470
LUO-POS-b4dec3be-1
0.470
MIK-ENA-4bb8c98f-1
0.470
MIK-ENA-610c7cf9-1
0.470
LUO-POS-b4dec3be-2
0.470
MAT-POS-566864e2-1
0.470
MAT-POS-566864e2-2
0.470
VLA-UNK-5d8210f0-5
0.470
MAT-POS-e75f6e44-5
0.470
MAT-POS-e75f6e44-1
0.470
MAT-POS-b4d6b7fc-5
0.470
BRU-THA-ae0174a8-1
0.470
MAT-POS-576f7758-1
0.469
ALP-POS-ecbed2ba-7
0.469
MAT-POS-69786b79-1
0.469
LUO-POS-e1dab717-1
0.469
MAT-POS-566864e2-3
0.469
MAT-POS-566864e2-4
0.469
EDJ-MED-33064c06-16
0.466
MAT-POS-e75f6e44-10
0.466
MAT-POS-e75f6e44-2
0.466
MAT-POS-e75f6e44-3
0.466
ALP-POS-afe0272e-1
0.464
MAT-POS-e75f6e44-20
0.462
MAT-POS-e75f6e44-17
0.462
ALP-POS-c3a90b22-2
0.461
MAT-POS-e75f6e44-9
0.458