Molecular Properties | |
SMILES: | CC(=O)NCCc1cccc2cc(S(N)(=O)=O)ccc12 |
MW: | 292.36 |
Fraction sp3: | 0.21 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 89.26 |
cLogP: | 1.1658 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-SGC-85e821e4-2
0.677
SIM-DEM-5935bd74-1
0.677
JOH-MSK-ec639444-3
0.493
DAR-DIA-fb20be43-9
0.456
SIM-DEM-5935bd74-4
0.437
AAR-UNI-c25c2f1e-99
0.349
DAR-DIA-8e329c92-9
0.349
ELE-IMP-dfb36048-2
0.346
DUN-NEW-f8ce3686-10
0.346
CAL-AMP-9edebd8f-1
0.346
SAN-PRS-3c4a6997-2
0.342
PET-SGC-708ec5d8-1
0.333
AMI-CSI-2ea5bed6-9
0.329
MAT-POS-90fd5f68-11
0.326
SAN-PRS-3c4a6997-1
0.325
WIL-LEE-364b6ea8-13
0.321
JOH-MSK-a63bdd1d-2
0.321
SAN-PRS-3c4a6997-3
0.321
NAU-LAT-81109c57-3
0.319
AAR-POS-0daf6b7e-45
0.318
ANT-OPE-81f9835f-1
0.316
MIH-UNI-e573136b-4
0.314
DUN-NEW-f8ce3686-21
0.313
JOH-MSK-a63bdd1d-5
0.313
JOH-MSK-a63bdd1d-1
0.312
JOH-MSK-a63bdd1d-4
0.312
MAR-UCB-195bc32d-16
0.312
AAR-POS-d2a4d1df-2
0.308
ROB-UNI-b2e39629-9
0.307
DAR-DIA-fb20be43-12
0.307
MAK-UNK-69bf97dd-4
0.304
ROB-UNI-b2e39629-10
0.303
MAK-UNK-be5ffcbc-9
0.300
JOH-MSK-35a8745a-1
0.300
MAR-UCB-195bc32d-21
0.300
ALE-ACE-2610ee4d-1
0.300
KEI-UNI-85a52787-2
0.298
MAK-UNK-bae89c02-3
0.297
JOH-MEM-4bb7e4cc-1
0.296
MAT-GIT-deadff56-1
0.296
DUN-NEW-f8ce3686-12
0.296
LIZ-THE-d3ff4653-2
0.296
TAM-UNI-d1c3dd9f-23
0.295
ASH-UNK-40b46b30-6
0.294
HAN-NEW-5f56c3bc-2
0.294
NAU-LAT-81109c57-5
0.293
JOH-MEM-5e386bbd-8
0.293
ANT-DIA-b7f58f21-4
0.292
PAT-UNK-b2d83456-4
0.292
GAB-REV-4a4e2ff3-14
0.292
SAM-UNK-903735bd-2
0.291
SIM-DEM-265738e1-1
0.291
BEN-DND-362d364a-8
0.291
ROB-UNI-b2e39629-4
0.291
PET-SGC-f818f65b-1
0.291
TAM-UNI-c140e31a-15
0.291
ELE-IMP-dfb36048-1
0.291
JAN-GHE-1d98ec1c-1
0.289
TAM-UNI-d1c3dd9f-24
0.287
DAR-DIA-3e9bbd81-10
0.287
JOH-CHE-3504ac3d-2
0.287
DUN-NEW-f8ce3686-11
0.286
GAB-REV-4a4e2ff3-13
0.286
GAB-REV-4a4e2ff3-11
0.284
MAT-POS-90fd5f68-29
0.283
SIM-DEM-5935bd74-2
0.282
KEI-UNI-85a52787-3
0.280
GAB-REV-4a4e2ff3-18
0.280
TAM-UNI-c140e31a-16
0.280
TAM-UNI-d1c3dd9f-20
0.280
GAB-REV-4a4e2ff3-7
0.279
PET-SGC-85e821e4-1
0.278
SIM-DEM-5935bd74-7
0.278
ASH-UNK-40b46b30-7
0.278
KEI-UNI-85a52787-1
0.278
MIC-UNK-4fbd4db9-1
0.277
DAR-DIA-3e9bbd81-9
0.276
JOH-MEM-5e386bbd-3
0.276
GAB-REV-4a4e2ff3-15
0.276
DUN-NEW-f8ce3686-5
0.275
MAT-GIT-deadff56-2
0.274
DUN-NEW-f8ce3686-24
0.274
TAM-UNI-d1c3dd9f-19
0.274
JAN-GHE-6413aaf8-5
0.274
NIM-UNI-7ba87d62-1
0.274
ROB-UNI-b2e39629-5
0.272
MAR-TRE-c317dd82-56
0.272
ROB-UNI-b2e39629-6
0.271
SAD-SAT-1f400d17-7
0.270
MAK-UNK-ec98eaf6-47
0.270
GAB-REV-4a4e2ff3-5
0.270
SAD-SAT-135344c3-10
0.270
HEI-REL-0c990a45-4
0.270
GAB-REV-4a4e2ff3-16
0.269
PET-SGC-6062269a-1
0.269
DUN-NEW-f8ce3686-13
0.269
WIL-LEE-23e8b574-3
0.268
SAD-SAT-65574d3f-2
0.268
MAR-TRE-6a44bbf2-73
0.268
GAB-REV-4a4e2ff3-21
0.266