Molecular Properties | |
SMILES: | CS(=O)(=O)N1CC(C(=O)Nc2cncc3ccccc23)C2C3CCC(O3)C2C1 |
MW: | 401.14 |
Fraction sp3: | 0.5 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 88.6 |
cLogP: | 1.86 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
ALP-POS-347519b5-1
0.670
MAT-POS-dd3ad2b5-4
0.456
MAT-POS-24589f88-2
0.456
MAT-POS-24589f88-3
0.456
ALP-POS-d054b76b-1
0.437
RAL-THA-05e671eb-24
0.436
DAR-DIA-6a508060-11
0.433
DAR-DIA-0f2f46c9-4
0.433
DAR-DIA-0f2f46c9-5
0.433
ALP-POS-d054b76b-2
0.433
DAR-DIA-0f2f46c9-6
0.433
LAU-MED-88a3970a-10
0.431
LAU-MED-88a3970a-9
0.431
MAT-POS-64942dd0-3
0.426
ALP-POS-347519b5-2
0.422
RAL-THA-05e671eb-34
0.422
EDJ-MED-0047eae5-1
0.421
LAU-MED-88a3970a-15
0.418
LAU-MED-88a3970a-16
0.418
RAL-THA-05e671eb-36
0.413
EDJ-MED-e4b030d8-8
0.413
RAL-THA-05e671eb-29
0.413
PET-UNK-d61f3ea6-2
0.413
MAT-POS-5cd9ea36-4
0.411
RAL-THA-05e671eb-22
0.410
RAL-THA-05e671eb-21
0.410
RAL-THA-05e671eb-23
0.408
MAT-POS-2e8b2191-1
0.407
MAT-POS-5cd9ea36-19
0.407
RAL-THA-05e671eb-5
0.404
ADA-UCB-dc2b944c-5
0.404
EDJ-MED-e4b030d8-10
0.404
RAL-THA-05e671eb-27
0.404
RAL-THA-05e671eb-12
0.404
MAT-POS-4223bc15-1
0.404
MAT-POS-4223bc15-3
0.404
MAT-POS-4223bc15-6
0.404
ALP-POS-d054b76b-4
0.404
PET-UNK-d61f3ea6-3
0.404
DAR-DIA-0f2f46c9-3
0.402
DAR-DIA-0f2f46c9-1
0.402
EDJ-MED-b774e9fe-2
0.402
EDJ-MED-2791eece-6
0.402
RAL-THA-c9f97604-1
0.402
DAR-DIA-0f2f46c9-2
0.402
RAL-THA-05e671eb-35
0.400
RAL-THA-ee48ba5f-5
0.400
ALP-POS-ce760d3f-1
0.400
RAL-THA-05e671eb-28
0.400
RAL-THA-05e671eb-1
0.400
MAT-POS-4223bc15-2
0.400
JOH-SUS-07b743f6-3
0.398
EDJ-MED-139368ae-2
0.398
RAL-THA-05e671eb-32
0.398
ANN-CHE-e1757302-1
0.397
MAT-POS-5cd9ea36-10
0.397
JOH-SUS-07b743f6-5
0.397
JOH-SUS-07b743f6-7
0.397
MAT-POS-dd1fff26-1
0.397
MAT-POS-dd1fff26-2
0.397
BRU-THA-98e973b9-1
0.396
EDJ-MED-eb111c00-4
0.396
MAT-POS-4223bc15-13
0.396
DAR-DIA-0f2f46c9-10
0.396
MIC-UNK-06e5f114-4
0.395
MIC-UNK-37660950-4
0.395
EDJ-MED-76744c27-5
0.395
MAT-POS-5cd9ea36-20
0.395
RAL-THA-05e671eb-13
0.394
EDJ-MED-e4b030d8-9
0.394
RAL-THA-05e671eb-33
0.394
FRA-DIA-0fa076fe-1
0.394
FRA-DIA-c7e803f4-1
0.394
JOH-SUS-07b743f6-6
0.393
ALF-EVA-07677224-4
0.393
EDJ-MED-1981ceba-2
0.393
LAU-MED-88a3970a-17
0.393
BEN-DND-32596b04-7
0.393
LAU-MED-88a3970a-18
0.393
ALP-POS-869ac754-2
0.392
ALF-EVA-07677224-3
0.391
DAR-DIA-0f2f46c9-7
0.391
DAR-DIA-0f2f46c9-8
0.391
DAR-DIA-0f2f46c9-9
0.391
EDJ-MED-036ae2e9-3
0.391
MAR-UCB-6ab2ec87-7
0.390
RAL-THA-05e671eb-26
0.390
ALP-UNI-4b8a177c-1
0.390
RAL-THA-05e671eb-15
0.390
EDJ-MED-28cccd0c-2
0.389
EDJ-MED-12c4873b-6
0.389
EDJ-MED-54fbebd8-5
0.389
EDJ-MED-43f8f7d6-7
0.389
MAT-POS-4223bc15-7
0.389
RAL-THA-8f106089-4
0.389
MAT-POS-5cd9ea36-2
0.389
MAT-POS-5cd9ea36-17
0.389
RAL-THA-8f106089-3
0.389
ALF-EVA-5b152d2f-6
0.389
RAL-THA-05e671eb-30
0.389