Molecule Details
| Molecular Properties | |
| SMILES: | CNC(=O)CN1Cc2ccc(Cl)cc2C2(CCN(c3cncc4sccc34)C2=O)C1 |
| MW: | 440.11 |
| Fraction sp3: | 0.32 |
| HBA: | 5 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 65.54 |
| cLogP: | 3.19 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
PET-UNK-df7eb4e6-5
1.000
LUO-POS-868e8996-11
0.710
MAT-POS-c7726e07-5
0.710
LUO-POS-868e8996-12
0.710
MAT-POS-c7726e07-6
0.710
EDJ-MED-8bb691af-4
0.710
PET-UNK-df7eb4e6-2
0.683
PET-UNK-df7eb4e6-6
0.683
MAT-POS-ddfe83c6-6
0.680
MAT-POS-38eb6498-5
0.657
EDJ-MED-b6c6ee2b-2
0.657
MAT-POS-b4d6b7fc-5
0.654
MIK-ENA-4bb8c98f-1
0.654
LUO-POS-b4dec3be-1
0.654
MIK-ENA-610c7cf9-1
0.654
LUO-POS-b4dec3be-2
0.654
MAT-POS-b4d6b7fc-7
0.619
MAT-POS-b4d6b7fc-6
0.615
MAT-POS-1d5ab790-2
0.615
MIK-ENA-1494235a-1
0.609
MIK-ENA-4ed700b1-1
0.609
MIK-ENA-4a1c9a78-1
0.609
MIK-UNK-1619f2e2-1
0.606
MIK-UNK-122557fa-1
0.606
EDJ-MED-705e09b8-1
0.606
EDJ-MED-6b23330e-7
0.604
PET-UNK-c6bcc80b-12
0.603
PET-UNK-c6bcc80b-5
0.603
ALP-POS-133e7cd9-1
0.602
PET-UNK-df7eb4e6-3
0.602
PET-UNK-df7eb4e6-7
0.602
MAT-POS-69786b79-3
0.600
ALP-POS-ecbed2ba-14
0.595
MAT-POS-e75f6e44-5
0.595
LUO-POS-e1dab717-19
0.594
MAT-POS-e75f6e44-6
0.593
EDJ-MED-6b23330e-5
0.589
MAT-POS-e75f6e44-4
0.589
EDJ-MED-6b23330e-1
0.589
EDJ-MED-6b23330e-2
0.589
EDJ-MED-6b23330e-4
0.584
MAT-POS-e75f6e44-7
0.584
MAT-POS-38eb6498-3
0.583
EDJ-MED-b6c6ee2b-1
0.583
BRU-THA-ae0174a8-1
0.580
MAT-POS-566864e2-2
0.580
MAT-POS-566864e2-1
0.580
MAT-POS-69786b79-2
0.580
ALP-POS-ecbed2ba-12
0.580
MAT-POS-e75f6e44-1
0.580
EDJ-MED-6b23330e-6
0.579
MAT-POS-e75f6e44-19
0.579
MAT-POS-e75f6e44-2
0.575
MAT-POS-e75f6e44-3
0.575
EDJ-MED-33064c06-16
0.574
MAT-POS-e75f6e44-10
0.574
MIK-ENA-f73d8b60-1
0.570
MAT-POS-e75f6e44-17
0.570
MAT-POS-e75f6e44-12
0.565
MAT-POS-e75f6e44-15
0.565
MAT-POS-69786b79-4
0.565
MAT-POS-e75f6e44-13
0.565
MAT-POS-e75f6e44-8
0.564
MAT-POS-e75f6e44-16
0.564
MAT-POS-e75f6e44-21
0.564
MAT-POS-e75f6e44-9
0.564
ALP-POS-c3a90b22-6
0.562
MAT-POS-e75f6e44-11
0.560
MAT-POS-e75f6e44-14
0.560
EDJ-MED-6b23330e-3
0.559
MAT-POS-e75f6e44-20
0.556
MAT-POS-e75f6e44-18
0.556
EDJ-MED-4cb9dd84-3
0.548
PET-UNK-eeb64427-4
0.544
PET-UNK-eeb64427-1
0.544
VLA-UNK-5d8210f0-2
0.544
ALP-POS-afe0272e-1
0.536
MIK-ENA-9eb8d9fb-1
0.533
EDJ-MED-40e596c8-1
0.526
VLA-UNK-5d8210f0-1
0.522
PET-UNK-7e9559de-4
0.521
MAT-POS-96396902-1
0.521
PET-UNK-7e9559de-1
0.521
MAT-POS-576f7758-1
0.513
MAT-POS-566864e2-3
0.513
MAT-POS-69786b79-1
0.513
LUO-POS-e1dab717-1
0.513
MAT-POS-566864e2-4
0.513
LUO-POS-e1dab717-17
0.513
ALP-POS-ecbed2ba-7
0.513
JOH-MSK-1f2dff76-1
0.509
MAT-POS-1bed62cf-3
0.509
JOH-MSK-1f2dff76-2
0.509
EDJ-MED-40e596c8-3
0.508
VLA-UNK-3bd6fc51-1
0.504
ALP-POS-c3a90b22-2
0.504
MIK-ENA-30ee93be-1
0.500
PET-UNK-eeb64427-2
0.496
PET-UNK-eeb64427-5
0.496
LUO-POS-e1dab717-18
0.496