Molecular Properties | |
SMILES: | CNC(=O)CN1Cc2ccc(Cl)cc2C2(C1)OCC(=O)N(c1cncc3ccccc13)C2=O |
MW: | 464.13 |
Fraction sp3: | 0.25 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 91.84 |
cLogP: | 2.24 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
phthalimide
PET-UNK-eeb64427-6
1.000
JOH-MSK-1f2dff76-2
0.654
MAT-POS-1bed62cf-3
0.654
JOH-MSK-1f2dff76-1
0.654
PET-UNK-eeb64427-1
0.615
PET-UNK-eeb64427-4
0.615
PET-UNK-143b31ee-3
0.614
PET-UNK-143b31ee-6
0.614
VLA-MRT-a639d434-1
0.607
VLA-MRT-8c78ee15-3
0.607
MAT-POS-ddfe83c6-4
0.607
PET-UNK-eeb64427-5
0.606
PET-UNK-eeb64427-2
0.606
MIC-UNK-eb20c3e1-1
0.596
PET-UNK-94036022-7
0.593
PET-UNK-94036022-14
0.593
MAT-POS-ddfe83c6-5
0.587
EDJ-MED-24007d8a-1
0.577
EDJ-MED-8bb691af-1
0.556
EDJ-MED-8bb691af-3
0.555
EDJ-MED-8bb691af-4
0.555
LUO-POS-868e8996-12
0.555
MAT-POS-c7726e07-6
0.555
LUO-POS-868e8996-11
0.555
MAT-POS-c7726e07-5
0.555
LUO-POS-f7b1afe6-4
0.550
MAT-POS-50a80394-7
0.550
LUO-POS-f7b1afe6-3
0.545
MAT-POS-ddfe83c6-3
0.545
MAT-POS-ddfe83c6-2
0.540
MAT-POS-50a80394-4
0.536
MAT-POS-50a80394-5
0.536
LUO-POS-e1dab717-18
0.536
ALP-POS-133e7cd9-1
0.531
LUO-POS-e1dab717-17
0.526
VLA-MRT-a639d434-2
0.523
VLA-MRT-8c78ee15-4
0.523
MAT-POS-50a80394-6
0.517
LUO-POS-868e8996-8
0.509
MAT-POS-1bed62cf-2
0.509
LUO-POS-868e8996-7
0.509
JOH-MSK-51c67e7d-1
0.495
JOH-MSK-51c67e7d-2
0.495
MIK-ENA-4a1c9a78-1
0.487
MIK-ENA-1494235a-1
0.487
MIK-ENA-4ed700b1-1
0.487
MIC-UNK-eb20c3e1-4
0.487
PET-UNK-7e9559de-6
0.484
PET-UNK-7e9559de-3
0.484
PET-UNK-4c71d490-7
0.483
PET-UNK-4c71d490-3
0.483
PET-UNK-df7eb4e6-2
0.483
PET-UNK-df7eb4e6-6
0.483
EDJ-MED-3af0740c-6
0.480
EDJ-MED-24007d8a-2
0.479
MAT-POS-ddfe83c6-6
0.479
EDJ-MED-7587a9ee-4
0.474
VLA-UNK-5d8210f0-1
0.471
LUO-POS-e1dab717-19
0.470
EDJ-MED-3af0740c-7
0.468
PET-UNK-4c71d490-1
0.467
PET-UNK-4c71d490-5
0.467
MAT-POS-69786b79-3
0.467
MAT-UNK-28cf4d29-1
0.464
ALP-POS-e266d783-2
0.464
MAT-POS-89bd6af1-3
0.464
MAT-POS-e75f6e44-6
0.463
MIK-ENA-4bb8c98f-1
0.463
MAT-POS-b4d6b7fc-5
0.463
LUO-POS-b4dec3be-1
0.463
MIK-ENA-610c7cf9-1
0.463
LUO-POS-b4dec3be-2
0.463
PET-UNK-77d5678a-1
0.463
PET-UNK-77d5678a-4
0.463
ALP-POS-ecbed2ba-14
0.463
MAT-POS-69786b79-1
0.462
ALP-POS-ecbed2ba-7
0.462
LUO-POS-e1dab717-1
0.462
MAT-POS-576f7758-1
0.462
MAT-POS-566864e2-3
0.462
MAT-POS-566864e2-4
0.462
EDJ-MED-3af0740c-8
0.461
EDJ-MED-6b23330e-5
0.459
EDJ-MED-6b23330e-2
0.459
EDJ-MED-6b23330e-7
0.459
EDJ-MED-6b23330e-1
0.459
MAT-POS-e75f6e44-4
0.459
MIC-UNK-eb20c3e1-2
0.459
PET-UNK-94036022-5
0.458
VLA-UNK-5d8210f0-4
0.458
PET-UNK-94036022-12
0.458
ALP-POS-c3a90b22-6
0.458
JOH-MSK-1f2dff76-3
0.455
JOH-MSK-1f2dff76-4
0.455
MAT-POS-e75f6e44-7
0.455
ALP-POS-c3a90b22-4
0.455
PET-UNK-14142a25-13
0.455
MAT-POS-38eb6498-5
0.455
EDJ-MED-b6c6ee2b-2
0.455
EDJ-MED-6b23330e-4
0.455