Molecule Details
| Molecular Properties | |
| SMILES: | CCC1CN(c2cncc3ccccc23)C(=O)C12CN(CC(=O)NC)Cc1ccc(Cl)cc12 |
| MW: | 462.18 |
| Fraction sp3: | 0.35 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 4 |
| TPSA: | 65.54 |
| cLogP: | 3.76 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
MAT-POS-50a80394-4
0.768
MAT-POS-50a80394-6
0.737
MIC-UNK-eb20c3e1-1
0.650
LUO-POS-f7b1afe6-3
0.644
LUO-POS-f7b1afe6-4
0.631
MAT-POS-50a80394-7
0.631
LUO-POS-868e8996-11
0.621
MAT-POS-c7726e07-6
0.621
LUO-POS-868e8996-12
0.621
MAT-POS-c7726e07-5
0.621
EDJ-MED-8bb691af-4
0.621
MAT-POS-50a80394-2
0.618
MIK-ENA-be04d1d4-1
0.618
MIK-ENA-e143773d-1
0.618
MIK-ENA-edcfce18-1
0.618
MIK-ENA-0547b12c-1
0.618
ALP-POS-133e7cd9-1
0.610
EDJ-MED-8bb691af-3
0.606
VLA-UNK-5d8210f0-4
0.569
LUO-POS-e1dab717-17
0.560
VLA-UNK-5d8210f0-5
0.559
VLA-MRT-a639d434-1
0.556
PET-UNK-94036022-7
0.556
JOH-MSK-1f2dff76-1
0.556
JOH-MSK-1f2dff76-2
0.556
LUO-POS-e1dab717-18
0.556
MAT-POS-ddfe83c6-4
0.556
VLA-MRT-8c78ee15-3
0.556
MAT-POS-1bed62cf-3
0.556
PET-UNK-94036022-14
0.556
EDJ-MED-24007d8a-1
0.555
PET-UNK-eeb64427-2
0.555
PET-UNK-eeb64427-5
0.555
MAT-POS-ddfe83c6-3
0.550
MAT-POS-ddfe83c6-5
0.550
EDJ-MED-8bb691af-1
0.547
MAT-POS-ddfe83c6-2
0.545
MIK-ENA-1494235a-1
0.545
MIK-ENA-4ed700b1-1
0.545
MAT-POS-e75f6e44-1
0.545
MIK-ENA-4a1c9a78-1
0.545
PET-UNK-eeb64427-1
0.536
PET-UNK-eeb64427-3
0.536
PET-UNK-eeb64427-4
0.536
PET-UNK-eeb64427-6
0.536
MAT-POS-e75f6e44-6
0.530
LUO-POS-e1dab717-19
0.528
VLA-UNK-5d8210f0-1
0.527
MAT-POS-e75f6e44-4
0.526
EDJ-MED-6b23330e-5
0.526
MAT-POS-e75f6e44-2
0.526
EDJ-MED-6b23330e-2
0.526
MAT-POS-69786b79-3
0.522
MAT-POS-e75f6e44-7
0.522
MAT-POS-e75f6e44-17
0.522
ALP-POS-ecbed2ba-12
0.518
ALP-POS-ecbed2ba-14
0.518
MAT-POS-566864e2-1
0.518
MAT-POS-566864e2-2
0.518
MAT-POS-e75f6e44-5
0.518
MAT-POS-69786b79-2
0.518
MAT-POS-e75f6e44-19
0.517
EDJ-MED-6b23330e-6
0.517
MAT-POS-e75f6e44-15
0.517
MAT-POS-e75f6e44-16
0.517
ALP-POS-c3a90b22-6
0.513
EDJ-MED-6b23330e-7
0.513
EDJ-MED-6b23330e-1
0.513
MAT-POS-e75f6e44-10
0.513
EDJ-MED-33064c06-16
0.513
EDJ-MED-6b23330e-3
0.513
MAT-POS-ddfe83c6-6
0.509
VLA-UNK-5d8210f0-2
0.509
EDJ-MED-6b23330e-4
0.509
MAT-POS-566864e2-3
0.504
ALP-POS-ecbed2ba-7
0.504
LUO-POS-e1dab717-1
0.504
MAT-POS-576f7758-1
0.504
MAT-POS-566864e2-4
0.504
MAT-POS-69786b79-1
0.504
BRU-THA-ae0174a8-1
0.504
MAT-POS-e75f6e44-12
0.504
MAT-POS-e75f6e44-13
0.504
MAT-POS-e75f6e44-8
0.504
MAT-POS-e75f6e44-9
0.504
MIC-UNK-257d841f-2
0.504
MAT-POS-e75f6e44-3
0.500
MIK-ENA-9eb8d9fb-1
0.500
ALP-POS-afe0272e-1
0.500
MAT-POS-e75f6e44-14
0.500
MAT-POS-e75f6e44-11
0.500
MAT-POS-e75f6e44-18
0.496
MAT-POS-e75f6e44-20
0.496
MAT-POS-38eb6498-5
0.496
ALP-POS-c3a90b22-2
0.496
DAR-DIA-6be260fc-2
0.495
MAT-POS-e75f6e44-21
0.492
MAT-POS-69786b79-4
0.492
MIC-UNK-eb20c3e1-4
0.491
LUO-POS-b4dec3be-2
0.491