Molecule Details
| Molecular Properties | |
| SMILES: | CNC(=O)CN1Cc2ccc(Cl)cc2C2(CCN(c3cncc4ccc(C(=O)NC)cc34)C2=O)C1 |
| MW: | 491.17 |
| Fraction sp3: | 0.31 |
| HBA: | 5 |
| HBD: | 2 |
| Rotatable Bonds: | 4 |
| TPSA: | 94.64 |
| cLogP: | 2.48 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
MAT-POS-ddfe83c6-6
0.814
MIK-ENA-4bb8c98f-1
0.782
LUO-POS-b4dec3be-1
0.782
MIK-ENA-610c7cf9-1
0.782
LUO-POS-b4dec3be-2
0.782
MAT-POS-b4d6b7fc-5
0.782
LUO-POS-868e8996-11
0.776
LUO-POS-868e8996-12
0.776
MAT-POS-c7726e07-6
0.776
EDJ-MED-8bb691af-4
0.776
MAT-POS-c7726e07-5
0.776
EDJ-MED-b6c6ee2b-2
0.767
MAT-POS-38eb6498-3
0.693
EDJ-MED-b6c6ee2b-1
0.693
MIK-ENA-f73d8b60-1
0.685
PET-UNK-c6bcc80b-5
0.673
PET-UNK-c6bcc80b-12
0.673
MIK-ENA-1494235a-1
0.667
MIK-ENA-4ed700b1-1
0.667
MIK-ENA-4a1c9a78-1
0.667
MAT-POS-38eb6498-2
0.664
MAT-POS-38eb6498-6
0.661
EDJ-MED-4cb9dd84-3
0.661
EDJ-MED-6b23330e-2
0.661
ALP-POS-133e7cd9-1
0.660
MAT-POS-b4d6b7fc-6
0.657
MAT-POS-69786b79-3
0.657
PET-UNK-df7eb4e6-1
0.657
PET-UNK-df7eb4e6-5
0.657
MAT-POS-1d5ab790-2
0.657
LUO-POS-e1dab717-19
0.654
ALP-POS-ecbed2ba-14
0.651
MAT-POS-e75f6e44-6
0.649
MAT-POS-b4d6b7fc-7
0.646
EDJ-MED-6b23330e-1
0.645
EDJ-MED-6b23330e-5
0.645
MAT-POS-e75f6e44-4
0.645
EDJ-MED-6b23330e-7
0.645
MAT-POS-e75f6e44-7
0.640
EDJ-MED-6b23330e-4
0.640
BRU-THA-ae0174a8-1
0.636
MAT-POS-566864e2-2
0.636
MAT-POS-69786b79-2
0.636
MAT-POS-566864e2-1
0.636
MAT-POS-e75f6e44-1
0.636
MAT-POS-e75f6e44-5
0.636
ALP-POS-ecbed2ba-12
0.636
EDJ-MED-6b23330e-6
0.634
MAT-POS-e75f6e44-19
0.634
MAT-POS-e75f6e44-3
0.631
MAT-POS-e75f6e44-2
0.631
EDJ-MED-33064c06-16
0.628
MAT-POS-e75f6e44-10
0.628
MAT-POS-e75f6e44-17
0.625
MAT-POS-69786b79-4
0.619
MAT-POS-e75f6e44-12
0.619
MAT-POS-e75f6e44-13
0.619
MAT-POS-e75f6e44-15
0.619
ALP-POS-c3a90b22-6
0.618
MAT-POS-e75f6e44-8
0.617
MAT-POS-e75f6e44-9
0.617
MAT-POS-e75f6e44-16
0.617
MAT-POS-e75f6e44-11
0.614
MAT-POS-e75f6e44-14
0.614
PET-UNK-eeb64427-1
0.613
PET-UNK-eeb64427-4
0.613
EDJ-MED-6b23330e-3
0.612
MAT-POS-e75f6e44-18
0.609
MAT-POS-e75f6e44-20
0.609
EDJ-MED-705e09b8-1
0.604
MIK-UNK-1619f2e2-1
0.604
MIK-UNK-122557fa-1
0.604
MAT-POS-e75f6e44-21
0.603
VLA-UNK-5d8210f0-2
0.598
MIK-ENA-30ee93be-1
0.597
ALP-POS-afe0272e-1
0.591
MIK-ENA-9eb8d9fb-1
0.585
EDJ-MED-40e596c8-1
0.580
LUO-POS-e1dab717-3
0.580
VLA-UNK-5d8210f0-1
0.575
MAT-POS-69786b79-1
0.566
LUO-POS-e1dab717-1
0.566
MAT-POS-576f7758-1
0.566
MAT-POS-566864e2-3
0.566
LUO-POS-e1dab717-17
0.566
ALP-POS-ecbed2ba-7
0.566
MAT-POS-566864e2-4
0.566
MIK-ENA-26b331e0-1
0.565
LUO-POS-e1dab717-5
0.559
VLA-UNK-3bd6fc51-1
0.559
ALP-POS-c3a90b22-2
0.557
MAT-POS-1bed62cf-3
0.549
JOH-MSK-1f2dff76-1
0.549
JOH-MSK-1f2dff76-2
0.549
LUO-POS-e1dab717-18
0.549
PET-UNK-eeb64427-2
0.548
PET-UNK-eeb64427-5
0.548
EDJ-MED-40e596c8-3
0.546
ALP-POS-c3a90b22-4
0.542
PET-UNK-7e9559de-4
0.534