Molecule Details
| Molecular Properties | |
| SMILES: | CNC(=O)CN1Cc2ccc(Cl)cc2C2(C1)C(=O)N(c1cncc3ccccc13)CC2C(C)C |
| MW: | 476.2 |
| Fraction sp3: | 0.37 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 4 |
| TPSA: | 65.54 |
| cLogP: | 4.01 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
MAT-POS-50a80394-4
0.755
MAT-POS-50a80394-5
0.737
LUO-POS-f7b1afe6-3
0.619
MAT-POS-50a80394-3
0.614
MAT-POS-b3212acf-1
0.614
MAT-POS-50a80394-7
0.607
LUO-POS-f7b1afe6-4
0.607
LUO-POS-868e8996-12
0.598
EDJ-MED-8bb691af-4
0.598
MAT-POS-c7726e07-5
0.598
EDJ-MED-8bb691af-3
0.598
LUO-POS-868e8996-11
0.598
MAT-POS-c7726e07-6
0.598
MIC-UNK-eb20c3e1-1
0.596
ALP-POS-133e7cd9-1
0.587
DAR-DIA-6be260fc-4
0.566
MAT-POS-ddfe83c6-5
0.545
MAT-POS-ddfe83c6-2
0.540
VLA-UNK-5d8210f0-5
0.539
VLA-MRT-8c78ee15-3
0.536
VLA-MRT-a639d434-1
0.536
MAT-POS-1bed62cf-3
0.536
PET-UNK-94036022-14
0.536
PET-UNK-94036022-7
0.536
LUO-POS-e1dab717-18
0.536
MAT-POS-ddfe83c6-4
0.536
JOH-MSK-1f2dff76-1
0.536
JOH-MSK-1f2dff76-2
0.536
PET-UNK-eeb64427-2
0.535
EDJ-MED-24007d8a-1
0.535
PET-UNK-eeb64427-5
0.535
VLA-UNK-5d8210f0-4
0.535
MAT-POS-ddfe83c6-3
0.531
EDJ-MED-8bb691af-1
0.527
LUO-POS-e1dab717-17
0.526
MIK-ENA-1494235a-1
0.526
MIK-ENA-4ed700b1-1
0.526
MIK-ENA-4a1c9a78-1
0.526
EDJ-MED-6b23330e-1
0.521
MAT-POS-69786b79-3
0.517
PET-UNK-eeb64427-1
0.517
PET-UNK-eeb64427-3
0.517
PET-UNK-eeb64427-4
0.517
PET-UNK-eeb64427-6
0.517
MAT-POS-e75f6e44-1
0.513
MAT-POS-e75f6e44-6
0.513
MAT-POS-e75f6e44-8
0.512
MAT-POS-e75f6e44-9
0.512
LUO-POS-e1dab717-19
0.509
MAT-POS-e75f6e44-4
0.508
EDJ-MED-6b23330e-5
0.508
MAT-POS-e75f6e44-7
0.504
ALP-POS-ecbed2ba-12
0.500
MAT-POS-69786b79-2
0.500
EDJ-MED-6b23330e-6
0.500
ALP-POS-ecbed2ba-14
0.500
MAT-POS-566864e2-1
0.500
MAT-POS-566864e2-2
0.500
MAT-POS-e75f6e44-5
0.500
MAT-POS-e75f6e44-12
0.500
MAT-POS-e75f6e44-19
0.500
MAT-POS-e75f6e44-16
0.500
EDJ-MED-33064c06-16
0.496
MAT-POS-e75f6e44-10
0.496
MAT-POS-e75f6e44-11
0.496
EDJ-MED-6b23330e-2
0.496
EDJ-MED-6b23330e-7
0.496
MAT-POS-e75f6e44-2
0.496
MAT-POS-e75f6e44-3
0.496
VLA-UNK-5d8210f0-1
0.496
ALP-POS-c3a90b22-6
0.496
ALP-POS-afe0272e-1
0.496
MIK-ENA-be04d1d4-1
0.492
MIK-ENA-e143773d-1
0.492
MIK-ENA-edcfce18-1
0.492
MIK-ENA-0547b12c-1
0.492
MAT-POS-50a80394-2
0.492
EDJ-MED-6b23330e-4
0.492
MAT-POS-e75f6e44-17
0.492
VLA-UNK-5d8210f0-2
0.492
MAT-POS-ddfe83c6-6
0.491
DAR-DIA-6be260fc-2
0.491
MAT-POS-e75f6e44-21
0.488
MAT-POS-e75f6e44-15
0.488
MAT-POS-e75f6e44-13
0.488
BRU-THA-ae0174a8-1
0.487
MAT-POS-576f7758-1
0.487
ALP-POS-ecbed2ba-7
0.487
MAT-POS-69786b79-1
0.487
LUO-POS-e1dab717-1
0.487
MAT-POS-566864e2-3
0.487
MAT-POS-566864e2-4
0.487
MIK-ENA-9eb8d9fb-1
0.484
EDJ-MED-6b23330e-3
0.484
MAT-POS-e75f6e44-14
0.484
VLA-UNK-f2612802-1
0.483
EDJ-MED-a12e3a20-2
0.483
MIK-ENA-99706bb8-1
0.480
MIK-ENA-17e27e9c-1
0.480
MIK-ENA-623fe2a6-1
0.480