Molecular Properties | |
SMILES: | CO[C@@]1(C(=O)Nc2cncc3ccn(C)c23)CN(S(C)(=O)=O)Cc2ccc(Cl)cc21 |
MW: | 448.1 |
Fraction sp3: | 0.3 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 93.53 |
cLogP: | 2.48 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
PET-UNK-c761fc18-2
0.723
ALP-POS-5290f14d-1
0.656
PET-UNK-9bf1291a-1
0.656
MIC-UNK-ea4eb352-2
0.656
PET-UNK-f4e47ebd-24
0.649
PET-UNK-f4e47ebd-25
0.649
PET-UNK-c65ea24c-5
0.649
EDJ-MED-841e0cf0-3
0.643
EDJ-MED-670ad2ee-3
0.643
EDJ-MED-923a35c2-5
0.643
PET-UNK-c65ea24c-4
0.636
FRA-DIA-6238d354-1
0.630
EDJ-MED-923a35c2-1
0.630
PET-UNK-f4e47ebd-27
0.630
PET-UNK-03fd2068-9
0.624
PET-UNK-c761fc18-8
0.619
PET-UNK-f4e47ebd-26
0.618
PET-UNK-c65ea24c-1
0.618
PET-UNK-b38839dc-22
0.618
PET-UNK-b38839dc-23
0.618
PET-UNK-c65ea24c-2
0.610
PET-UNK-c65ea24c-6
0.606
PET-UNK-c65ea24c-3
0.606
PET-UNK-b38839dc-21
0.594
PET-UNK-b78139fa-13
0.577
PET-UNK-c761fc18-5
0.566
PET-UNK-c761fc18-7
0.560
PET-UNK-4b4f2bb7-4
0.539
PET-UNK-e274cad4-8
0.535
PET-UNK-c65ea24c-11
0.528
EDJ-MED-cf877e1d-2
0.523
PET-UNK-88d26eaf-1
0.523
PET-UNK-b566c0b0-8
0.514
PET-UNK-ad758083-1
0.514
PET-UNK-c65ea24c-10
0.509
PET-UNK-757f8bc8-3
0.509
PET-UNK-6da3dcd8-8
0.509
EDJ-MED-b1cef252-2
0.509
MAT-POS-89bd6af1-2
0.509
MAT-POS-83a7b0a0-2
0.509
PET-UNK-bcc8fd08-4
0.505
PET-UNK-757f8bc8-4
0.505
PET-UNK-bcc8fd08-5
0.500
EDJ-MED-670ad2ee-1
0.500
EDJ-MED-841e0cf0-1
0.500
MIC-UNK-ea4eb352-6
0.500
PET-UNK-b566c0b0-9
0.500
PET-UNK-b38839dc-25
0.500
PET-UNK-c65ea24c-7
0.496
PET-UNK-b38839dc-26
0.496
PET-UNK-0d6841fa-1
0.495
PET-UNK-c65ea24c-8
0.495
PET-UNK-c65ea24c-12
0.495
PET-UNK-757f8bc8-2
0.491
EDJ-MED-841e0cf0-2
0.491
EDJ-MED-670ad2ee-2
0.491
PET-UNK-03fd2068-10
0.491
MIC-UNK-ea4eb352-10
0.491
PET-UNK-6da3dcd8-18
0.487
PET-UNK-757f8bc8-1
0.487
PET-UNK-bcc8fd08-6
0.487
PET-UNK-6da3dcd8-5
0.483
PET-UNK-c65ea24c-9
0.482
PET-UNK-f4e47ebd-29
0.477
PET-UNK-f4e47ebd-28
0.477
PET-UNK-b38839dc-24
0.473
PET-UNK-03fd2068-11
0.469
PET-UNK-6da3dcd8-15
0.467
EDJ-MED-923a35c2-2
0.465
PET-UNK-9bf1291a-5
0.464
EDJ-MED-b1cef252-1
0.459
PET-UNK-c65ea24c-17
0.459
MAT-POS-83a7b0a0-1
0.459
MAT-POS-89bd6af1-4
0.459
PET-UNK-9bf1291a-3
0.458
PET-UNK-f4e47ebd-31
0.456
PET-UNK-9bf1291a-4
0.451
PET-UNK-9bf1291a-2
0.450
PET-UNK-f4e47ebd-30
0.448
PET-UNK-c65ea24c-13
0.442
PET-UNK-c65ea24c-16
0.441
EDJ-MED-841e0cf0-4
0.436
EDJ-MED-670ad2ee-4
0.436
EDJ-MED-e9a22d5d-2
0.436
PET-UNK-6da3dcd8-2
0.435
PET-UNK-6da3dcd8-1
0.432
PET-UNK-c761fc18-4
0.432
PET-UNK-c65ea24c-14
0.432
PET-UNK-ad758083-2
0.432
PET-UNK-9b23ef84-8
0.427
PET-UNK-9b23ef84-12
0.427
PET-UNK-9b23ef84-4
0.427
PET-UNK-c65ea24c-15
0.427
PET-UNK-c65ea24c-18
0.427
JOH-UNI-e398da21-2
0.420
PET-UNK-6da3dcd8-12
0.420
MIC-UNK-6e9f8a43-1
0.420
PET-UNK-6da3dcd8-11
0.414
PET-UNK-0d6841fa-2
0.413
PET-UNK-e274cad4-10
0.413