Molecular Properties | |
SMILES: | CC1(C)c2ccc(Cl)cc2C(C(=O)Nc2cncc3ccccc23)CN1S(C)(=O)=O |
MW: | 443.11 |
Fraction sp3: | 0.27 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 79.37 |
cLogP: | 4.12 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAT-POS-2e8b2191-6
0.747
MAT-POS-2e8b2191-7
0.681
MAT-POS-24589f88-3
0.652
MAT-POS-dd3ad2b5-4
0.652
MAT-POS-24589f88-2
0.652
ALP-POS-d054b76b-1
0.648
EDJ-MED-0047eae5-1
0.621
MAR-UCB-6ab2ec87-6
0.598
RAL-THA-ee48ba5f-5
0.592
DAR-DIA-0f2f46c9-5
0.589
DAR-DIA-0f2f46c9-6
0.589
DAR-DIA-0f2f46c9-4
0.589
MAT-POS-4223bc15-1
0.582
MAT-POS-4223bc15-6
0.582
MAT-POS-dd3ad2b5-1
0.579
BEN-DND-f2e727cd-6
0.579
MAT-POS-5cd9ea36-10
0.577
MAT-POS-dd1fff26-1
0.577
MAT-POS-dd1fff26-2
0.577
MAT-POS-4223bc15-2
0.576
PET-UNK-d61f3ea6-2
0.576
MAR-UCB-6ab2ec87-7
0.574
ALP-POS-a577c8a2-2
0.573
BRU-THA-d60fe444-1
0.570
EDJ-MED-eb111c00-4
0.570
MAT-POS-2e8b2191-2
0.568
MIC-UNK-91acba05-2
0.568
ADA-UCB-dc2b944c-16
0.568
EDJ-MED-eb111c00-1
0.568
BEN-DND-32596b04-8
0.567
PET-UNK-9b23ef84-2
0.567
MAT-POS-dd3ad2b5-2
0.567
MAT-POS-4223bc15-19
0.567
RAL-THA-6e4c80cf-1
0.567
MAT-POS-4223bc15-3
0.566
MAT-POS-4223bc15-27
0.560
MAT-POS-64942dd0-3
0.560
MAT-POS-5cd9ea36-17
0.559
PET-UNK-d61f3ea6-3
0.558
ALP-POS-d054b76b-2
0.557
MAT-POS-4223bc15-18
0.556
BRU-THA-98e973b9-1
0.554
MAT-POS-4223bc15-13
0.554
RAL-THA-ee48ba5f-4
0.554
MAT-POS-acfe5bae-3
0.554
MAT-POS-4223bc15-29
0.553
MAT-POS-5cd9ea36-4
0.553
EDJ-MED-fa7708b3-1
0.553
RAL-THA-ee48ba5f-1
0.553
PET-UNK-de87a406-1
0.552
EDJ-MED-b774e9fe-2
0.551
EDJ-MED-2791eece-6
0.551
MAT-POS-dd3ad2b5-3
0.551
MAT-POS-dd3ad2b5-5
0.550
MAT-POS-4223bc15-17
0.550
EDJ-MED-0047eae5-2
0.549
EDJ-MED-1981ceba-2
0.549
BEN-DND-32596b04-7
0.549
EDJ-MED-76744c27-5
0.548
MAT-POS-5cd9ea36-19
0.548
PET-UNK-af70882d-3
0.548
PET-UNK-af70882d-4
0.548
MAT-POS-5cd9ea36-20
0.548
ALP-POS-b3e0acc5-1
0.548
EDJ-MED-7f6e5b75-1
0.548
MAT-UNK-04ae9652-1
0.548
RAL-THA-ee48ba5f-2
0.548
EDJ-MED-4fff0a85-2
0.547
MAT-POS-bf364d7a-8
0.546
EDJ-MED-76744c27-4
0.546
ALF-EVA-07677224-7
0.546
ALF-EVA-07677224-9
0.546
MAT-POS-bf364d7a-7
0.546
MAT-POS-8293a91a-4
0.545
MAT-POS-8293a91a-5
0.545
MAT-POS-4223bc15-23
0.545
EDJ-MED-12c4873b-3
0.545
MAT-POS-4223bc15-26
0.545
MAT-POS-5cd9ea36-2
0.544
MAT-POS-4223bc15-7
0.544
MAT-POS-4223bc15-15
0.544
MAT-POS-4223bc15-5
0.544
PET-UNK-ff046148-1
0.543
PET-UNK-615ad708-2
0.543
MAT-POS-5cd9ea36-16
0.543
ALF-EVA-07677224-3
0.543
PET-UNK-615ad708-5
0.543
ALF-EVA-07677224-4
0.542
MAT-POS-5cd9ea36-1
0.542
EDJ-MED-76744c27-1
0.542
DAR-DIA-5e50e037-1
0.542
MAT-POS-bf364d7a-6
0.542
PET-UNK-af70882d-1
0.542
MAT-POS-bf364d7a-5
0.542
XIA-UNK-50bd045a-1
0.542
EDJ-MED-4fff0a85-3
0.541
MAT-POS-bf364d7a-1
0.541
MAT-POS-bf364d7a-2
0.541
PET-UNK-162c14b2-1
0.540
EDJ-MED-c40d95bc-2
0.540