Molecular Properties | |
SMILES: | CNC(=O)CN1Cc2ccc(Cl)cc2C2(C1)NS(=O)(=O)N(c1cncc3ccccc13)C2=O |
MW: | 485.09 |
Fraction sp3: | 0.23 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 111.71 |
cLogP: | 1.53 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
LUO-POS-5857a86a-4
0.737
MAT-POS-ddfe83c6-4
0.673
VLA-MRT-8c78ee15-3
0.673
VLA-MRT-a639d434-1
0.673
MAT-POS-ddfe83c6-2
0.629
LUO-POS-5857a86a-2
0.595
LUO-POS-f7b1afe6-3
0.575
MIC-UNK-eb20c3e1-1
0.569
VLA-MRT-8c78ee15-4
0.566
VLA-MRT-a639d434-2
0.566
MAT-POS-50a80394-7
0.565
LUO-POS-f7b1afe6-4
0.565
PET-UNK-94036022-7
0.565
PET-UNK-94036022-14
0.565
JOH-MSK-1f2dff76-1
0.565
JOH-MSK-1f2dff76-2
0.565
MAT-POS-1bed62cf-3
0.565
EDJ-MED-24007d8a-1
0.564
MAT-POS-ddfe83c6-5
0.560
PET-UNK-eeb64427-4
0.559
PET-UNK-eeb64427-1
0.559
EDJ-MED-8bb691af-4
0.556
LUO-POS-868e8996-11
0.556
MAT-POS-c7726e07-5
0.556
MAT-POS-c7726e07-6
0.556
LUO-POS-868e8996-12
0.556
MAT-POS-50a80394-4
0.550
MAT-POS-50a80394-5
0.550
LUO-POS-e1dab717-18
0.550
PET-UNK-eeb64427-2
0.550
PET-UNK-eeb64427-5
0.550
ALP-POS-133e7cd9-1
0.545
PET-UNK-eeb64427-3
0.545
PET-UNK-eeb64427-6
0.545
EDJ-MED-8bb691af-1
0.542
EDJ-MED-8bb691af-3
0.541
LUO-POS-e1dab717-17
0.541
MAT-POS-50a80394-6
0.531
LUO-POS-5857a86a-3
0.509
MIK-ENA-4a1c9a78-1
0.487
MIK-ENA-1494235a-1
0.487
MIK-ENA-4ed700b1-1
0.487
ALP-POS-e266d783-2
0.477
MAT-UNK-28cf4d29-1
0.477
MAT-POS-89bd6af1-3
0.477
ALP-POS-ecbed2ba-14
0.475
VLA-UNK-5d8210f0-1
0.470
ALP-POS-c3a90b22-6
0.470
LUO-POS-e1dab717-19
0.469
MAT-POS-38eb6498-5
0.467
MAT-POS-e75f6e44-7
0.467
MAT-POS-69786b79-3
0.466
MAT-POS-ddfe83c6-6
0.466
MAT-POS-89bd6af1-4
0.464
EDJ-MED-b1cef252-1
0.464
MAT-POS-83a7b0a0-1
0.464
MAT-POS-e75f6e44-6
0.463
VLA-UNK-5d8210f0-5
0.462
MIC-UNK-eb20c3e1-4
0.462
EDJ-MED-6b23330e-1
0.458
EDJ-MED-6b23330e-7
0.458
EDJ-MED-6b23330e-2
0.458
MAT-POS-e75f6e44-4
0.458
EDJ-MED-6b23330e-5
0.458
VLA-UNK-5d8210f0-4
0.458
EDJ-MED-3af0740c-6
0.455
MAT-POS-e75f6e44-20
0.455
EDJ-MED-24007d8a-2
0.455
EDJ-MED-6b23330e-4
0.455
MAT-POS-b4d6b7fc-6
0.454
MAT-POS-1d5ab790-2
0.454
VLA-UNK-5d8210f0-2
0.454
MAT-POS-e75f6e44-16
0.452
EDJ-MED-6b23330e-6
0.451
MAT-POS-e75f6e44-15
0.451
MAT-POS-e75f6e44-19
0.451
MAT-POS-b4d6b7fc-5
0.450
ALP-POS-ecbed2ba-12
0.450
MAT-POS-69786b79-2
0.450
EDJ-MED-fed7ac0b-1
0.450
LUO-POS-b4dec3be-1
0.450
MIK-ENA-4bb8c98f-1
0.450
MIK-ENA-610c7cf9-1
0.450
LUO-POS-b4dec3be-2
0.450
MAT-POS-566864e2-1
0.450
MAT-POS-566864e2-2
0.450
MAT-POS-e75f6e44-1
0.450
MAT-POS-e75f6e44-5
0.450
EDJ-MED-fd8ed875-1
0.450
BRU-THA-ae0174a8-1
0.450
ALP-POS-ecbed2ba-7
0.449
MAT-POS-69786b79-1
0.449
MAT-POS-576f7758-1
0.449
LUO-POS-e1dab717-1
0.449
MAT-POS-566864e2-3
0.449
MAT-POS-566864e2-4
0.449
EDJ-MED-3af0740c-8
0.449
EDJ-MED-33064c06-16
0.447
MAT-POS-e75f6e44-10
0.447
MAT-POS-e75f6e44-14
0.447