Molecular Properties | |
SMILES: | Cc1ccc(S(=O)(=O)NC(=O)NCCc2c[nH]c3ccccc23)cc1 |
MW: | 357.11 |
Fraction sp3: | 0.17 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 91.06 |
cLogP: | 2.71 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-3793380884 |
MolPort: | MolPort-002-603-491 |
Hetero_hetero
SAN-PRS-3c4a6997-2
0.574
AAR-UNI-c25c2f1e-73
0.512
AAR-UNI-c25c2f1e-26
0.457
LON-WEI-4d77710c-20
0.442
LON-WEI-5e7d1b3e-20
0.442
AAR-UNI-c25c2f1e-72
0.441
MAR-TRE-fd17a9b8-10
0.433
JOH-MSK-a63bdd1d-10
0.403
MAR-TRE-fd17a9b8-18
0.392
MAR-TRE-fd17a9b8-25
0.387
MAR-UCB-195bc32d-22
0.385
AAR-UNI-c25c2f1e-29
0.374
SAD-SAT-65574d3f-4
0.371
MAR-TRE-6a44bbf2-48
0.371
AAR-UNI-c25c2f1e-34
0.364
CUN-WAB-25b584ee-2
0.362
DUN-NEW-f8ce3686-12
0.357
MAT-GIT-deadff56-1
0.357
JOH-MEM-4bb7e4cc-1
0.357
MAR-TRE-b77b7921-67
0.353
CUN-WAB-25b584ee-1
0.348
JAN-GHE-4287bd1a-2
0.345
MAR-UCB-195bc32d-9
0.345
JOH-MSK-a63bdd1d-4
0.341
MAR-UCB-195bc32d-16
0.341
JOH-MSK-a63bdd1d-5
0.341
ANT-OPE-ab37bd51-2
0.341
NIC-BIO-3276ca7f-7
0.341
AAR-POS-d2a4d1df-2
0.337
SAN-PRS-3c4a6997-1
0.337
NIC-BIO-3276ca7f-2
0.337
RED-RED-10c9212c-42
0.337
FEL-WAB-fb168420-3
0.330
FEL-WAB-fb168420-2
0.330
MAR-TRE-f5c2d31c-47
0.330
ALE-ACE-2610ee4d-1
0.329
MAR-UCB-195bc32d-21
0.329
JOH-MSK-35a8745a-1
0.329
MAR-TRE-14ce9fd6-26
0.329
MAR-TRE-85681e92-68
0.326
RED-RED-10c9212c-33
0.323
MAR-UCB-195bc32d-18
0.321
FRA-LAB-04e32718-1
0.320
MAR-TRE-85681e92-33
0.319
NAU-LAT-81109c57-3
0.316
NAU-LAT-81109c57-8
0.315
MAR-TRE-fd17a9b8-1
0.314
MAR-TRE-4f781e27-6
0.312
NAU-LAT-81109c57-1
0.311
MAT-POS-ea426761-94
0.311
MAK-UNK-be5ffcbc-8
0.310
MAT-POS-162a9720-8
0.310
WIL-UNI-1faa9b10-29
0.309
MAR-TRE-4f39ef4a-5
0.309
ALP-POS-a3de0cb1-15
0.306
SAL-INS-68b48d12-10
0.306
MAR-TRE-85681e92-53
0.305
MAR-TRE-fd17a9b8-41
0.305
MAR-TRE-4f781e27-69
0.302
SUN-WAB-e274cdaf-1
0.301
JAR-IMP-ed466bb3-19
0.301
SAL-INS-68b48d12-9
0.300
MAR-TRE-4f39ef4a-9
0.299
MAR-TRE-c317dd82-56
0.299
MAK-UNK-37f1d6fa-2
0.298
MAR-TRE-f6f5f473-6
0.297
CAL-AMP-9edebd8f-1
0.297
ELE-IMP-dfb36048-2
0.297
DUN-NEW-f8ce3686-10
0.297
SAL-INS-68b48d12-6
0.296
ANT-OPE-47f3bb65-4
0.294
MAR-TRE-85681e92-69
0.293
MAR-TRE-74c6519b-79
0.293
SAL-INS-68b48d12-7
0.292
MAK-UNK-be5ffcbc-1
0.292
MAK-UNK-be5ffcbc-3
0.290
MAR-TRE-be9ff7d2-73
0.289
WAR-XCH-b0339bbe-20
0.287
WAR-XCH-79d12f6e-10
0.287
MAR-TRE-92684b97-67
0.287
MAK-UNK-37f1d6fa-3
0.287
MAR-TRE-36bf7dba-21
0.287
SAL-INS-68b48d12-8
0.287
MAR-TRE-36bf7dba-26
0.286
SAL-INS-68b48d12-5
0.284
MAR-UNI-9ca61fdc-1
0.284
MAK-UNK-be5ffcbc-7
0.283
BRU-UNI-248b30bc-12
0.282
JOH-MSK-a63bdd1d-1
0.281
NAU-LAT-81109c57-4
0.280
HAN-NEW-5f56c3bc-2
0.280
YIA-UNI-71f25a82-2
0.279
ALP-POS-8ed8d9ec-2
0.279
MAR-TRE-36bf7dba-27
0.278
YIA-UNI-71f25a82-1
0.278
JOH-MSK-a63bdd1d-2
0.277
WIL-LEE-364b6ea8-13
0.277
ANT-OPE-47f3bb65-5
0.276
NAU-LAT-81109c57-2
0.276
MAR-TRE-04c86cea-51
0.275