Molecular Properties | |
SMILES: | CNC(=O)CN1Cc2ccc(Cl)cc2C2(C1)C(=O)N(c1cncc3ccccc13)S(=O)(=O)N2C |
MW: | 499.11 |
Fraction sp3: | 0.26 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 102.92 |
cLogP: | 1.87 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
LUO-POS-5857a86a-3
0.725
MAT-POS-ddfe83c6-5
0.660
EDJ-MED-24007d8a-1
0.648
MAT-POS-ddfe83c6-3
0.629
LUO-POS-5857a86a-1
0.625
MAT-POS-50a80394-7
0.604
LUO-POS-f7b1afe6-4
0.604
VLA-MRT-8c78ee15-3
0.574
MAT-POS-ddfe83c6-4
0.574
VLA-MRT-a639d434-1
0.574
LUO-POS-f7b1afe6-3
0.570
EDJ-MED-8bb691af-4
0.565
MAT-POS-c7726e07-5
0.565
LUO-POS-868e8996-11
0.565
MAT-POS-c7726e07-6
0.565
LUO-POS-868e8996-12
0.565
MIC-UNK-eb20c3e1-1
0.564
PET-UNK-94036022-7
0.545
PET-UNK-94036022-14
0.545
JOH-MSK-1f2dff76-1
0.545
JOH-MSK-1f2dff76-2
0.545
MAT-POS-1bed62cf-3
0.545
MAT-POS-50a80394-4
0.545
MAT-POS-50a80394-5
0.545
LUO-POS-e1dab717-18
0.545
ALP-POS-133e7cd9-1
0.541
PET-UNK-eeb64427-4
0.540
MAT-POS-50a80394-6
0.540
PET-UNK-eeb64427-1
0.540
PET-UNK-eeb64427-3
0.540
PET-UNK-eeb64427-6
0.540
EDJ-MED-3af0740c-6
0.538
EDJ-MED-8bb691af-1
0.537
EDJ-MED-8bb691af-3
0.536
LUO-POS-e1dab717-17
0.536
PET-UNK-eeb64427-2
0.531
PET-UNK-eeb64427-5
0.531
EDJ-MED-3af0740c-7
0.525
EDJ-MED-3af0740c-8
0.516
VLA-MRT-a639d434-2
0.505
VLA-MRT-8c78ee15-4
0.505
LUO-POS-5857a86a-4
0.504
MIC-UNK-7b6fe9e8-3
0.500
MIK-ENA-1494235a-1
0.496
MIK-ENA-4ed700b1-1
0.496
MIK-ENA-4a1c9a78-1
0.496
EDJ-MED-6b23330e-1
0.492
ALP-POS-c3a90b22-6
0.491
EDJ-MED-24007d8a-2
0.487
EDJ-MED-cbbe2dbb-3
0.483
LUO-POS-e1dab717-19
0.478
MAT-POS-38eb6498-5
0.475
MAT-POS-e75f6e44-7
0.475
MAT-POS-69786b79-3
0.475
MAT-POS-ddfe83c6-6
0.474
ALP-POS-e266d783-2
0.473
MAT-POS-89bd6af1-3
0.473
MAT-UNK-28cf4d29-1
0.473
MAT-POS-e75f6e44-16
0.472
MAT-POS-e75f6e44-6
0.471
MAT-POS-e75f6e44-19
0.471
ALP-POS-ecbed2ba-14
0.471
MAT-POS-e75f6e44-4
0.467
EDJ-MED-6b23330e-7
0.467
EDJ-MED-6b23330e-2
0.467
EDJ-MED-6b23330e-5
0.467
MAT-POS-e75f6e44-3
0.467
VLA-UNK-5d8210f0-1
0.466
ALP-POS-afe0272e-1
0.466
MAT-POS-e75f6e44-20
0.463
EDJ-MED-6b23330e-4
0.463
MAT-POS-e75f6e44-17
0.463
VLA-UNK-5d8210f0-2
0.462
MAT-POS-b4d6b7fc-6
0.462
MAT-POS-1d5ab790-2
0.462
ALP-POS-4483ae88-2
0.462
EDJ-MED-b1cef252-1
0.460
MAT-POS-89bd6af1-4
0.460
MAT-POS-83a7b0a0-1
0.460
MAT-POS-e75f6e44-9
0.460
MAT-POS-e75f6e44-8
0.460
MAT-POS-e75f6e44-12
0.459
EDJ-MED-6b23330e-6
0.459
MIC-UNK-eb20c3e1-4
0.458
BRU-THA-ae0174a8-1
0.458
MIK-ENA-610c7cf9-1
0.458
MAT-POS-566864e2-1
0.458
MAT-POS-e75f6e44-1
0.458
MAT-POS-b4d6b7fc-5
0.458
ALP-POS-ecbed2ba-12
0.458
MAT-POS-69786b79-2
0.458
LUO-POS-b4dec3be-1
0.458
MIK-ENA-4bb8c98f-1
0.458
LUO-POS-b4dec3be-2
0.458
VLA-UNK-5d8210f0-5
0.458
MAT-POS-e75f6e44-5
0.458
MAT-POS-566864e2-2
0.458
MAT-POS-566864e2-3
0.458
ALP-POS-ecbed2ba-7
0.458
LUO-POS-e1dab717-1
0.458