Molecular Properties | |
SMILES: | CNC(=O)CN1Cc2ccc(Cl)cc2[C@@]2(CC(=O)N(c3cncc4sccc34)C2=O)C1 |
MW: | 454.09 |
Fraction sp3: | 0.27 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 82.61 |
cLogP: | 2.71 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
phthalimide
PET-UNK-df7eb4e6-6
1.000
JOH-MSK-1f2dff76-1
0.727
JOH-MSK-1f2dff76-2
0.727
MAT-POS-1bed62cf-3
0.727
PET-UNK-df7eb4e6-1
0.683
PET-UNK-df7eb4e6-5
0.683
PET-UNK-df7eb4e6-8
0.593
PET-UNK-df7eb4e6-4
0.593
PET-UNK-eeb64427-4
0.549
PET-UNK-eeb64427-1
0.549
PET-UNK-eeb64427-2
0.540
PET-UNK-eeb64427-5
0.540
PET-UNK-77d5678a-1
0.517
PET-UNK-77d5678a-4
0.517
LUO-POS-868e8996-12
0.491
EDJ-MED-8bb691af-4
0.491
MAT-POS-c7726e07-5
0.491
LUO-POS-868e8996-11
0.491
MAT-POS-c7726e07-6
0.491
JOH-MSK-51c67e7d-1
0.486
JOH-MSK-51c67e7d-2
0.486
PET-UNK-eeb64427-3
0.483
PET-UNK-eeb64427-6
0.483
MAT-POS-ddfe83c6-6
0.483
MAT-POS-1bed62cf-2
0.475
LUO-POS-868e8996-7
0.475
LUO-POS-868e8996-8
0.475
PET-UNK-94036022-7
0.474
PET-UNK-94036022-14
0.474
LUO-POS-e1dab717-18
0.474
ALP-POS-133e7cd9-1
0.470
MIC-UNK-eb20c3e1-1
0.466
LUO-POS-e1dab717-17
0.466
MAT-POS-38eb6498-5
0.459
EDJ-MED-b6c6ee2b-2
0.459
MAT-POS-b4d6b7fc-6
0.458
MAT-POS-1d5ab790-2
0.458
MAT-POS-ddfe83c6-5
0.458
MIK-ENA-610c7cf9-1
0.455
MAT-POS-b4d6b7fc-5
0.455
LUO-POS-b4dec3be-1
0.455
MIK-ENA-4bb8c98f-1
0.455
LUO-POS-b4dec3be-2
0.455
EDJ-MED-705e09b8-1
0.450
MIK-UNK-1619f2e2-1
0.450
MIK-UNK-122557fa-1
0.450
VLA-MRT-8c78ee15-3
0.449
MAT-POS-ddfe83c6-4
0.449
VLA-MRT-a639d434-1
0.449
PET-UNK-94036022-11
0.443
PET-UNK-94036022-4
0.443
EDJ-MED-24007d8a-1
0.438
PET-UNK-94036022-5
0.438
PET-UNK-94036022-12
0.438
PET-UNK-c6bcc80b-5
0.434
PET-UNK-c6bcc80b-12
0.434
MAT-POS-b4d6b7fc-7
0.433
MAT-POS-1bed62cf-1
0.424
LUO-POS-868e8996-9
0.424
LUO-POS-868e8996-10
0.424
JOH-MSK-4bb3d434-2
0.423
PET-UNK-77d5678a-6
0.423
12_-111-3e02a1cd-2
0.423
PET-UNK-77d5678a-3
0.423
MIK-ENA-1494235a-1
0.419
MIK-ENA-4ed700b1-1
0.419
MIK-ENA-4a1c9a78-1
0.419
MAT-POS-69786b79-2
0.419
ALP-POS-e266d783-2
0.417
MAT-POS-89bd6af1-3
0.417
MAT-UNK-28cf4d29-1
0.417
PET-UNK-df7eb4e6-3
0.417
PET-UNK-df7eb4e6-7
0.417
EDJ-MED-8bb691af-3
0.417
MAT-POS-e75f6e44-4
0.416
EDJ-MED-6b23330e-7
0.416
EDJ-MED-6b23330e-5
0.416
MAT-POS-50a80394-7
0.413
LUO-POS-f7b1afe6-4
0.413
MAT-POS-69786b79-3
0.411
MAT-POS-38eb6498-3
0.410
EDJ-MED-b6c6ee2b-1
0.410
MAT-POS-ddfe83c6-3
0.410
MAT-POS-e75f6e44-6
0.409
MAT-POS-e75f6e44-19
0.409
LUO-POS-f7b1afe6-3
0.408
ALP-POS-ecbed2ba-14
0.408
MAT-POS-e75f6e44-5
0.408
EDJ-MED-6b23330e-1
0.405
EDJ-MED-6b23330e-2
0.405
MAT-POS-50a80394-4
0.402
MAT-POS-50a80394-5
0.402
MIK-ENA-f73d8b60-1
0.402
EDJ-MED-6b23330e-4
0.402
MAT-POS-e75f6e44-7
0.402
PET-UNK-6af7266d-2
0.400
PET-UNK-6af7266d-4
0.400
LUO-POS-e1dab717-19
0.400
EDJ-MED-6b23330e-6
0.398
EDJ-MED-3656d29d-1
0.398