Molecular Properties | |
SMILES: | CC(CCCc1ccc(S(N)(=O)=O)cc1)C(CCCNS(C)(=O)=O)C(=O)Nc1c[nH]c2ccccc12 |
MW: | 534.704 |
Fraction sp3: | 0.4 |
HBA: | 5 |
HBD: | 4 |
Rotatable Bonds: | 13 |
TPSA: | 151.22 |
cLogP: | 3.3584 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
Long aliphatic chain
Hetero_hetero
WAL-WAB-c1441da0-2
0.642
WAL-WAB-9cbe20c2-1
0.550
WAL-WAB-9cbe20c2-2
0.357
JIN-POS-6dc588a4-5
0.324
ALP-POS-a3de0cb1-14
0.319
ANT-OPE-ab37bd51-1
0.317
SAL-INS-68b48d12-7
0.273
GAB-REV-70cc3ca5-17
0.272
WIL-LEE-23e8b574-7
0.272
SAL-INS-68b48d12-9
0.269
SAL-INS-68b48d12-5
0.267
ANT-DIA-b7f58f21-3
0.266
SAN-PRS-3c4a6997-2
0.265
SAL-INS-68b48d12-10
0.264
LON-WEI-4d77710c-20
0.262
LON-WEI-5e7d1b3e-20
0.262
SAD-SAT-65574d3f-2
0.260
MAR-TRE-6a44bbf2-73
0.260
SAL-INS-68b48d12-8
0.259
MAR-TRE-fd17a9b8-35
0.259
CUN-WAB-25b584ee-1
0.259
SUN-WAB-e274cdaf-1
0.258
SIM-DEM-5935bd74-7
0.257
AAR-POS-0daf6b7e-45
0.255
NIC-BIO-3276ca7f-7
0.252
AAR-UNI-c25c2f1e-73
0.252
YIA-UNI-71f25a82-2
0.252
NIC-BIO-3276ca7f-2
0.250
SIM-DEM-5935bd74-1
0.250
CAL-AMP-9edebd8f-1
0.250
DUN-NEW-f8ce3686-10
0.250
ELE-IMP-dfb36048-2
0.250
SAD-SAT-1f400d17-7
0.250
PET-SGC-85e821e4-2
0.250
SAL-INS-68b48d12-6
0.248
CUN-WAB-25b584ee-2
0.248
MAK-UNK-27459e11-7
0.242
ELE-IMP-dfb36048-5
0.240
YIA-UNI-71f25a82-1
0.240
MAR-TRE-423310b6-30
0.239
MAR-UCB-195bc32d-9
0.239
MAR-UCB-195bc32d-18
0.238
NJA-MAN-b9fb953f-5
0.235
MAK-UNK-27459e11-9
0.235
MAR-TRE-4f781e27-6
0.233
AAR-UNI-c25c2f1e-26
0.233
MAR-TRE-b77b7921-67
0.231
MAR-TRE-74c6519b-79
0.230
MAR-TRE-87acfbcc-44
0.229
MAR-TRE-36bf7dba-21
0.229
PET-SGC-abcbce68-1
0.228
GAB-REV-70cc3ca5-20
0.227
GAB-FRA-261eb2a6-1
0.227
MAR-TRE-36bf7dba-26
0.227
FNM-UNK-09aa97f7-1
0.226
ADA-UCB-6c2cb422-8
0.226
MAK-UNK-27459e11-8
0.225
GAB-REV-df64cf17-18
0.225
MAR-TRE-4f781e27-69
0.225
ALP-UNI-8e43a71e-16
0.224
ALP-UNI-3496895b-16
0.224
SIM-DEM-5935bd74-2
0.224
MAR-TRE-85681e92-33
0.224
AAR-POS-d2a4d1df-1
0.223
SIM-DEM-5935bd74-3
0.223
MAR-TRE-4f39ef4a-9
0.223
ELE-IMP-dfb36048-3
0.223
MAK-UNK-c44f4be0-3
0.223
ANT-OPE-47f3bb65-4
0.222
IAN-BAS-5394d4c4-1
0.222
PET-SGC-85e821e4-1
0.222
ADA-UCB-6c2cb422-11
0.222
NEL-UNI-1464a899-7
0.221
RED-RED-10c9212c-9
0.220
MAR-TRE-a3327163-68
0.220
ALP-POS-a3de0cb1-15
0.220
MAR-TRE-f5c2d31c-47
0.219
DUN-NEW-f8ce3686-14
0.219
AAR-UNI-c25c2f1e-72
0.219
JOH-MSK-a63bdd1d-10
0.218
ANT-OPE-ab37bd51-2
0.217
MAR-UCB-195bc32d-45
0.217
NAU-LAT-30527ac5-6
0.216
MAR-UNI-9ca61fdc-1
0.216
ASH-UNK-40b46b30-6
0.216
MAR-UCB-195bc32d-22
0.215
AAR-UNI-c25c2f1e-29
0.215
MDW-FNM-a7fbf093-1
0.215
JAN-GHE-6413aaf8-7
0.214
MAT-POS-e1b5ac6b-1
0.214
ROB-UNI-b2e39629-4
0.214
SIM-DEM-f31d0e65-1
0.214
BEN-DND-362d364a-8
0.214
ROB-UNI-daaf9793-1
0.214
ADA-UCB-6c2cb422-10
0.213
SAM-UNK-83e03154-2
0.213
NEL-UNI-1464a899-8
0.213
WAR-XCH-6eb0722e-3
0.213
SHA-THE-408e7524-16
0.212
MAR-TRE-36bf7dba-27
0.212