Molecular Properties | |
SMILES: | CS(=O)(=O)c1ccc2c(NC(=O)C3CNS(=O)(=O)c4ccc(Cl)cc43)cncc2c1 |
MW: | 465.02 |
Fraction sp3: | 0.16 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 122.3 |
cLogP: | 2.31 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated haloaromatics
ALP-POS-1cbc2fae-1
PET-UNK-6e612674-12
PET-UNK-6e612674-11
PET-UNK-6e612674-8
PET-UNK-6e612674-3
PET-UNK-6e612674-2
PET-UNK-6e612674-1
PET-UNK-6e612674-16
PET-UNK-6e612674-7
PET-UNK-6e612674-6
PET-UNK-6e612674-15
PET-UNK-6e612674-14
PET-UNK-6e612674-13
PET-UNK-6e612674-10
PET-UNK-6e612674-9
PET-UNK-6e612674-5
PET-UNK-6e612674-4
EDJ-MED-f9b78f78-5
0.778
EDJ-MED-f9b78f78-2
0.736
ALP-POS-a577c8a2-1
0.701
MAT-POS-af1eef35-3
0.701
EDJ-MED-e18764cb-2
0.701
BEN-DND-d6f8d3c6-1
0.701
EDJ-MED-93390d0c-2
0.674
EDJ-MED-d9f3798e-2
0.674
ERI-UCB-8d4e5055-3
0.600
MAT-POS-7ddaf7de-2
0.600
EDJ-MED-f9b78f78-3
0.596
EDJ-MED-f9b78f78-6
0.589
EDJ-MED-41558c53-10
0.553
EDJ-MED-d165ed91-5
0.542
EDJ-MED-d165ed91-6
0.542
ALP-POS-4483ae88-4
0.541
MIK-UNK-78dbf1b8-1
0.541
MIK-UNK-58cd43d0-1
0.541
PET-UNK-c671f938-3
0.538
PET-UNK-c671f938-7
0.538
MAT-POS-c88128cb-14
0.529
EDJ-MED-41558c53-2
0.528
EDJ-MED-41558c53-12
0.528
EDJ-MED-d165ed91-1
0.528
EDJ-MED-41558c53-8
0.523
PET-UNK-6e612674-3
0.519
PET-UNK-6e612674-11
0.519
EDJ-MED-7889e8da-5
0.519
EDJ-MED-0186a59b-7
0.519
EDJ-MED-0186a59b-3
0.519
MAT-POS-2e8b2191-12
0.519
EDJ-MED-ede277f6-12
0.518
EDJ-MED-41558c53-14
0.514
EDJ-MED-e69ed63d-2
0.514
EDJ-MED-93390d0c-1
0.510
EDG-MED-f9979214-1
0.510
EDJ-MED-d165ed91-2
0.509
EDJ-MED-d165ed91-4
0.509
EDJ-MED-c99b2211-4
0.509
EDJ-MED-41558c53-4
0.509
EDJ-MED-e69ed63d-12
0.509
EDJ-MED-e69ed63d-8
0.505
EDJ-MED-41558c53-6
0.504
EDJ-MED-378a25ea-9
0.500
EDJ-MED-7889e8da-6
0.500
EDJ-MED-ede277f6-8
0.496
EDJ-MED-e69ed63d-4
0.496
MAT-POS-5c19d660-1
0.496
EDJ-MED-ede277f6-6
0.496
EDJ-MED-827e7cb4-1
0.495
EDJ-MED-b7309adf-2
0.495
BEN-DND-f06bfa8e-5
0.495
EDJ-MED-ede277f6-2
0.491
EDJ-MED-968bafd9-2
0.491
PET-UNK-3324058f-7
0.491
PET-UNK-3324058f-3
0.491
EDJ-MED-e69ed63d-14
0.491
EDJ-MED-e69ed63d-16
0.491
EDJ-MED-c99b2211-3
0.491
EDJ-MED-70ab3faf-2
0.490
EDJ-MED-e69ed63d-5
0.487
EDJ-MED-e69ed63d-10
0.487
EDJ-MED-d165ed91-3
0.487
EDJ-MED-94fddcec-1
0.486
ALP-POS-6f6ae286-7
0.485
EDG-MED-f9979214-2
0.485
EDJ-MED-e69ed63d-18
0.483
EDG-MED-b8f93667-4
0.481
PET-UNK-b78139fa-5
0.480
BEN-DND-11faade0-1
0.479
EDG-MED-b8f93667-6
0.473
EDJ-MED-211392e3-2
0.472
BEN-DND-0ac71396-2
0.472
BEN-DND-0ac71396-1
0.471
PET-UNK-b78139fa-6
0.470
EDG-MED-b8f93667-8
0.469
EDG-MED-ee636701-1
0.468
PET-UNK-6e612674-15
0.468
PET-UNK-6e612674-7
0.468
PET-UNK-09a29654-2
0.468
ERI-UCB-b3e6b0c2-11
0.466
MAT-POS-86c60949-1
0.466
EDJ-MED-b7309adf-1
0.466
PET-UNK-2c6614b6-5
0.466
PET-UNK-7279c968-5
0.466
ALP-POS-6f6ae286-1
0.466
EDJ-MED-c3ea9889-3
0.460
PET-UNK-e9bc7c59-2
0.459
PET-UNK-2c6614b6-7
0.456
TET-ENA-382364b7-1
0.453
BEN-DND-c852c98b-5
0.452
ERI-UCB-8d4e5055-4
0.452
EDJ-MED-b2a1399d-2
0.451
ERI-UCB-b3e6b0c2-16
0.450
EDJ-MED-dac03e7f-2
0.449
EDG-MED-b8f93667-2
0.448
EDJ-MED-b2a1399d-1
0.447
EDG-MED-9fc99cca-3
0.445
BEN-DND-f6031113-13
0.443
PET-UNK-b78139fa-3
0.443