Molecule Details
| Molecular Properties | |
| SMILES: | CNC(=O)C1(N2Cc3ccc(Cl)cc3C3(CCN(c4cncc5c4CCCC5)C3=O)C2)CC1 |
| MW: | 464.2 |
| Fraction sp3: | 0.5 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 65.54 |
| cLogP: | 3.38 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
EDJ-MED-705e09b8-1
0.723
MIK-UNK-122557fa-1
0.723
MIK-UNK-1619f2e2-1
0.723
EDJ-MED-d4864bdc-2
0.645
MAT-POS-576f7758-1
0.632
ALP-POS-ecbed2ba-7
0.632
MAT-POS-69786b79-1
0.632
LUO-POS-e1dab717-1
0.632
MAT-POS-566864e2-3
0.632
MAT-POS-566864e2-4
0.632
LUO-POS-e1dab717-3
0.632
EDJ-MED-705e09b8-2
0.618
ALP-POS-c3a90b22-2
0.606
LUO-POS-e1dab717-5
0.593
LUO-POS-e1dab717-9
0.588
ALP-POS-c3a90b22-10
0.560
LUO-POS-e1dab717-13
0.558
EDJ-MED-4138fde9-3
0.554
ALP-POS-c3a90b22-4
0.548
LUO-POS-e1dab717-7
0.540
EDJ-MED-4138fde9-4
0.511
EDJ-MED-59d5ca70-2
0.508
LUO-POS-868e8996-11
0.441
MAT-POS-c7726e07-6
0.441
LUO-POS-868e8996-12
0.441
MAT-POS-c7726e07-5
0.441
EDJ-MED-8bb691af-4
0.441
MAT-POS-1d5ab790-2
0.434
MAT-POS-b4d6b7fc-6
0.434
MAT-POS-ddfe83c6-6
0.433
MAT-POS-38eb6498-5
0.424
PET-UNK-df7eb4e6-1
0.423
PET-UNK-df7eb4e6-5
0.423
LUO-POS-ed2cfb03-2
0.420
MIC-UNK-eb20c3e1-4
0.419
MAT-POS-b4d6b7fc-5
0.419
LUO-POS-b4dec3be-1
0.419
LUO-POS-b4dec3be-2
0.419
MIK-ENA-4bb8c98f-1
0.419
MIK-ENA-610c7cf9-1
0.419
ALP-POS-c3a90b22-6
0.415
EDJ-MED-b6c6ee2b-2
0.413
MAT-POS-b4d6b7fc-7
0.411
MAT-POS-38eb6498-2
0.410
MAT-POS-e75f6e44-19
0.409
MIK-ENA-1494235a-1
0.408
MIK-ENA-4ed700b1-1
0.408
MIK-ENA-4a1c9a78-1
0.408
EDJ-MED-7587a9ee-3
0.407
MAT-POS-e75f6e44-4
0.405
EDJ-MED-6b23330e-5
0.405
EDJ-MED-24007d8a-2
0.402
MIK-ENA-f73d8b60-1
0.402
PET-UNK-c6bcc80b-5
0.402
PET-UNK-c6bcc80b-12
0.402
ALP-POS-ecbed2ba-20
0.400
ALP-POS-133e7cd9-1
0.398
EDJ-MED-976a33d5-1
0.397
MAT-POS-576f7758-2
0.397
LUO-POS-e1dab717-2
0.397
MAT-POS-e48723dc-2
0.397
MAT-POS-e48723dc-1
0.397
EDJ-MED-6b23330e-1
0.394
LUO-POS-5857a86a-3
0.394
ALP-POS-ecbed2ba-3
0.392
PET-UNK-94036022-3
0.392
PET-UNK-94036022-10
0.392
LUO-POS-5857a86a-4
0.392
ALP-POS-ecbed2ba-18
0.392
ALP-POS-ecbed2ba-6
0.391
EDJ-MED-98c0a822-3
0.391
ALP-POS-c3a90b22-1
0.391
EDJ-MED-6b23330e-4
0.391
MAT-POS-e75f6e44-9
0.389
MAT-POS-e75f6e44-8
0.389
MAT-POS-69786b79-3
0.389
EDJ-MED-976a33d5-3
0.389
LUO-POS-e1dab717-4
0.389
LUO-POS-e1dab717-19
0.388
MAT-POS-853c0ffa-12
0.388
MAT-POS-853c0ffa-7
0.388
MAT-POS-853c0ffa-8
0.388
MAT-POS-e75f6e44-6
0.388
MAT-POS-853c0ffa-20
0.386
MAT-POS-69786b79-2
0.386
EDJ-MED-cc48ee33-4
0.386
ALP-POS-ecbed2ba-14
0.386
EDJ-MED-40e596c8-3
0.385
LUO-POS-ed2cfb03-1
0.384
EDJ-MED-40e596c8-1
0.384
MAT-POS-853c0ffa-17
0.383
MAT-POS-853c0ffa-18
0.383
EDJ-MED-6b23330e-7
0.383
MAT-POS-e75f6e44-2
0.383
ALP-POS-ecbed2ba-19
0.383
EDJ-MED-6b23330e-2
0.383
EDJ-MED-3707c4bc-1
0.381
EDJ-MED-3707c4bc-2
0.381
EDJ-MED-98c0a822-1
0.380
EDJ-MED-cc48ee33-5
0.380