Molecular Properties | |
SMILES: | CO[C@@]1(C(=O)Nc2cncc3ccc(S(C)(=O)=O)cc23)CS(=O)(=O)Cc2ccc(Cl)cc21 |
MW: | 494.04 |
Fraction sp3: | 0.24 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 119.5 |
cLogP: | 2.7 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
PET-UNK-1b92fa34-6
0.767
PET-UNK-329a9ce9-5
0.758
PET-UNK-329a9ce9-6
0.750
PET-UNK-1b92fa34-5
0.717
PET-UNK-329a9ce9-7
0.697
PET-UNK-b566c0b0-6
0.691
PET-UNK-b566c0b0-3
0.663
PET-UNK-b566c0b0-5
0.663
PET-UNK-329a9ce9-8
0.654
EDJ-MED-611d11e7-1
0.653
MAT-POS-96f51285-2
0.653
FRA-DIA-6238d354-1
0.650
EDJ-MED-923a35c2-1
0.650
PET-UNK-b566c0b0-4
0.643
PET-UNK-b566c0b0-1
0.636
PET-UNK-c761fc18-4
0.594
PET-UNK-81b485b5-12
0.590
PET-UNK-81b485b5-26
0.590
PET-UNK-c761fc18-8
0.590
PET-UNK-1b92fa34-8
0.588
PET-UNK-0d6841fa-6
0.575
ALF-EVA-82cf4849-8
0.571
PET-UNK-0d6841fa-7
0.571
EDG-MED-10fcb19e-3
0.566
EDJ-MED-923a35c2-2
0.550
EDJ-MED-93390d0c-4
0.542
EDJ-MED-ce467fd5-3
0.531
PET-UNK-1b92fa34-7
0.528
EDJ-MED-841e0cf0-4
0.524
EDJ-MED-670ad2ee-4
0.524
EDJ-MED-946e547c-1
0.523
ALP-POS-e6e0c683-4
0.519
PET-UNK-1e13ef09-2
0.519
EDJ-MED-670ad2ee-3
0.509
EDJ-MED-841e0cf0-3
0.509
EDJ-MED-923a35c2-5
0.509
PET-UNK-a7639856-1
0.509
PET-UNK-b78139fa-16
0.505
PET-UNK-b566c0b0-7
0.500
MAT-POS-edabd372-2
0.500
EDJ-MED-827e7cb4-6
0.500
EDG-MED-10fcb19e-1
0.495
PET-UNK-ee8352fa-1
0.491
MAT-POS-ec6d90b7-4
0.491
MAT-POS-a5ef2d74-2
0.491
EDJ-MED-611d11e7-4
0.491
PET-UNK-b566c0b0-8
0.478
MAT-POS-96f51285-1
0.477
MAT-POS-24589f88-1
0.477
EDJ-MED-611d11e7-7
0.477
PET-UNK-9bf1291a-1
0.477
ALP-POS-5290f14d-1
0.477
MIC-UNK-ea4eb352-2
0.477
ALF-EVA-82cf4849-4
0.472
ALF-EVA-82cf4849-11
0.469
PET-UNK-9bf1291a-2
0.468
PET-UNK-022eab87-2
0.467
ALF-EVA-82cf4849-13
0.465
ALP-POS-93b3621f-3
0.464
EDJ-MED-923a35c2-3
0.464
PET-UNK-407a74a5-7
0.462
PET-UNK-a7639856-2
0.460
PET-UNK-f4e47ebd-25
0.459
PET-UNK-c0891748-3
0.459
PET-UNK-c0891748-9
0.459
ALF-EVA-82cf4849-12
0.457
EDJ-MED-93390d0c-1
0.455
FRA-DIA-6238d354-2
0.455
MAT-POS-edabd372-1
0.455
ERI-UCB-8d4e5055-4
0.454
EDJ-MED-d08626de-2
0.454
BEN-DND-c852c98b-5
0.454
EDJ-MED-d08626de-1
0.454
PET-UNK-29afea89-2
0.454
EDG-MED-0e5afe9d-3
0.454
PET-UNK-09a29654-4
0.453
PET-UNK-bcc8fd08-5
0.452
PET-UNK-b78139fa-17
0.449
EDG-MED-10fcb19e-5
0.448
EDJ-MED-cf877e1d-2
0.447
PET-UNK-88d26eaf-1
0.447
EDJ-MED-827e7cb4-5
0.445
PET-UNK-81b485b5-11
0.445
PET-UNK-81b485b5-25
0.445
PET-UNK-e9bc7c59-7
0.444
PET-UNK-b78139fa-15
0.444
PET-UNK-03fd2068-10
0.443
PET-UNK-9bf1291a-4
0.443
EDJ-MED-6bf93aa8-1
0.443
PET-UNK-4b4f2bb7-6
0.441
MAT-POS-1a13cd81-1
0.441
PET-UNK-81b485b5-9
0.441
PET-UNK-81b485b5-23
0.441
PET-UNK-407a74a5-2
0.440
PET-UNK-b38839dc-23
0.440
PET-UNK-c65ea24c-1
0.440
PET-UNK-ad758083-1
0.440
PET-UNK-b38839dc-22
0.440
PET-UNK-f4e47ebd-26
0.440
MAR-UCB-6ab2ec87-3
0.439