Molecular Properties | |
SMILES: | CO[C@@]1(C(=O)Nc2cncc3occc23)CN(S(=O)(=O)N(C)C)Cc2ccc(Cl)cc21 |
MW: | 464.09 |
Fraction sp3: | 0.3 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 104.98 |
cLogP: | 2.58 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MIC-UNK-ea4eb352-1
ALP-POS-f1807566-3
EDJ-MED-00c1612e-1
ADA-UCB-6c2cb422-1
PET-UNK-7f7e354d-7
MAT-POS-4223bc15-2
JIN-POS-6dc588a4-22
PET-UNK-88d26eaf-1
MAT-POS-24589f88-3
PET-UNK-29afea89-2
MAR-UCB-fd2e172f-41
PET-UNK-9bf1291a-1
MIC-UNK-91acba05-1
MAT-POS-b3e365b9-1
EDJ-MED-b7309adf-2
MIC-UNK-91acba05-3
JIN-POS-6dc588a4-11
PET-UNK-b38839dc-21
0.804
PET-UNK-c65ea24c-9
0.750
EDJ-MED-cf877e1d-2
0.680
PET-UNK-88d26eaf-1
0.680
PET-UNK-c65ea24c-12
0.680
PET-UNK-b566c0b0-8
0.667
PET-UNK-c65ea24c-8
0.660
PET-UNK-c65ea24c-11
0.650
PET-UNK-b566c0b0-9
0.648
PET-UNK-b38839dc-25
0.648
PET-UNK-c65ea24c-7
0.642
PET-UNK-b38839dc-26
0.642
PET-UNK-c65ea24c-10
0.613
PET-UNK-c65ea24c-3
0.592
MAR-UCB-fd2e172f-41
0.559
PET-UNK-b38839dc-18
0.559
PET-UNK-c65ea24c-6
0.547
EDJ-MED-923a35c2-1
0.541
FRA-DIA-6238d354-1
0.541
PET-UNK-ad758083-2
0.540
MIC-UNK-ea4eb352-2
0.533
ALP-POS-5290f14d-1
0.533
PET-UNK-9bf1291a-1
0.533
PET-UNK-f4e47ebd-24
0.528
PET-UNK-f4e47ebd-25
0.528
PET-UNK-b38839dc-9
0.528
EDJ-MED-841e0cf0-3
0.523
EDJ-MED-670ad2ee-3
0.523
PET-UNK-c65ea24c-2
0.523
EDJ-MED-923a35c2-5
0.523
PET-UNK-757f8bc8-4
0.522
PET-UNK-b38839dc-22
0.518
PET-UNK-0d6841fa-2
0.517
PET-UNK-c65ea24c-15
0.514
PET-UNK-b38839dc-27
0.514
PET-UNK-f9b7ae87-4
0.514
PET-UNK-b38839dc-30
0.514
PET-UNK-c65ea24c-5
0.514
PET-UNK-f4e47ebd-27
0.514
PET-UNK-03fd2068-9
0.509
PET-UNK-b38839dc-23
0.504
PET-UNK-f4e47ebd-26
0.504
PET-UNK-c65ea24c-1
0.504
PET-UNK-757f8bc8-3
0.500
PET-UNK-81b485b5-5
0.495
PET-UNK-81b485b5-19
0.495
PET-UNK-6da3dcd8-5
0.487
PET-UNK-b566c0b0-7
0.487
PET-UNK-757f8bc8-2
0.483
PET-UNK-757f8bc8-1
0.479
PET-UNK-c761fc18-2
0.478
PET-UNK-c65ea24c-4
0.478
EDJ-MED-b1cef252-2
0.475
PET-UNK-6da3dcd8-8
0.475
MAT-POS-83a7b0a0-2
0.475
MAT-POS-89bd6af1-2
0.475
PET-UNK-c761fc18-6
0.473
PET-UNK-6da3dcd8-15
0.472
EDJ-MED-b1cef252-1
0.464
MAT-POS-83a7b0a0-1
0.464
MAT-POS-89bd6af1-4
0.464
PET-UNK-b38839dc-6
0.464
PET-UNK-c65ea24c-18
0.459
PET-UNK-6da3dcd8-18
0.456
EDJ-MED-e9a22d5d-2
0.454
PET-UNK-6da3dcd8-3
0.452
PET-UNK-9bf1291a-3
0.450
PET-UNK-6da3dcd8-4
0.447
PET-UNK-9b23ef84-4
0.445
PET-UNK-9bf1291a-5
0.443
PET-UNK-9bf1291a-2
0.442
PET-UNK-ad758083-1
0.441
PET-UNK-c65ea24c-14
0.439
PET-UNK-c65ea24c-17
0.439
PET-UNK-c65ea24c-13
0.436
PET-UNK-9b23ef84-12
0.433
PET-UNK-6da3dcd8-13
0.433
PET-UNK-9bf1291a-4
0.432
PET-UNK-6da3dcd8-14
0.432
PET-UNK-19e211a9-4
0.426
PET-UNK-9b23ef84-8
0.421
PET-UNK-bcc8fd08-4
0.420
PET-UNK-bcc8fd08-5
0.417
PET-UNK-0d6841fa-1
0.413
PET-UNK-b1ef24dc-31
0.410
PET-UNK-c65ea24c-16
0.410
EDJ-MED-923a35c2-2
0.410
EDJ-MED-841e0cf0-2
0.408
PET-UNK-03fd2068-10
0.408
EDJ-MED-670ad2ee-2
0.408
MIC-UNK-ea4eb352-10
0.408
PET-UNK-0df12184-2
0.407
PET-UNK-bcc8fd08-6
0.407
PET-UNK-b566c0b0-2
0.403
EDJ-MED-841e0cf0-1
0.402
EDJ-MED-670ad2ee-1
0.402
MIC-UNK-ea4eb352-6
0.402
PET-UNK-f4e47ebd-28
0.397
PET-UNK-f4e47ebd-29
0.397
PET-UNK-03fd2068-11
0.390