Molecular Properties | |
SMILES: | CCc1c[nH]c2c(Nc3cc(C)cc(S(N)(=O)=O)n3)cc(F)cc12 |
MW: | 348.403 |
Fraction sp3: | 0.19 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 4 |
TPSA: | 100.87 |
cLogP: | 2.96382 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
BEN-VAN-d8fd1356-15
0.482
BEN-VAN-d8fd1356-16
0.396
GAB-REV-4a4e2ff3-14
0.363
GAB-REV-4a4e2ff3-6
0.351
GAB-REV-4a4e2ff3-11
0.333
GAB-REV-4a4e2ff3-18
0.330
BEN-VAN-d8fd1356-22
0.308
BEN-VAN-d8fd1356-21
0.303
NAU-LAT-81109c57-3
0.303
BEN-VAN-d8fd1356-25
0.301
BEN-VAN-d8fd1356-7
0.298
GAB-REV-4a4e2ff3-12
0.295
BEN-VAN-d8fd1356-11
0.294
GAB-REV-4a4e2ff3-21
0.293
BEN-VAN-d8fd1356-8
0.288
LON-WEI-af038623-6
0.286
TAM-UNI-c140e31a-3
0.280
NIR-THE-0d6461ce-3
0.279
ASH-UNK-40b46b30-7
0.279
GAB-REV-4a4e2ff3-13
0.274
GAB-REV-4a4e2ff3-16
0.270
MAK-UNK-be5ffcbc-9
0.270
SCO-VAN-260d9628-8
0.265
PET-SGC-f818f65b-1
0.263
SIM-DEM-265738e1-1
0.263
SAM-UNK-903735bd-2
0.263
ELE-IMP-dfb36048-1
0.263
TAM-UNI-c140e31a-15
0.263
GAB-REV-4a4e2ff3-9
0.261
PET-SGC-1c3a473d-1
0.259
GAB-REV-4a4e2ff3-20
0.259
TAM-UNI-c140e31a-20
0.257
SCO-VAN-260d9628-7
0.255
NAU-LAT-81109c57-5
0.255
MAK-UNK-ec98eaf6-34
0.255
ASH-UNK-40b46b30-5
0.248
JOK-SYG-302da050-2
0.245
GAB-REV-4a4e2ff3-17
0.243
ANT-OPE-b90194ad-1
0.241
TAM-UNI-c140e31a-2
0.240
WIL-LEE-1f71e281-6
0.240
GAB-REV-4a4e2ff3-2
0.239
BEN-VAN-d8fd1356-27
0.238
GAB-REV-4a4e2ff3-5
0.236
GAB-REV-4a4e2ff3-7
0.235
SCO-VAN-260d9628-6
0.233
DAR-DIA-caba39e3-6
0.233
JOK-SYG-b7365cd7-1
0.232
MAK-UNK-be5ffcbc-6
0.230
GAB-REV-4a4e2ff3-3
0.229
BEN-VAN-d8fd1356-18
0.229
DAR-DIA-eace69ff-36
0.229
TAM-UNI-c140e31a-21
0.228
MAK-UNK-be5ffcbc-2
0.228
BEN-VAN-d8fd1356-10
0.227
HAN-NEW-5f56c3bc-2
0.227
NAU-LAT-f723e322-1
0.226
STU-CHA-bc0a9883-1
0.226
JOK-SYG-302da050-1
0.226
DAR-DIA-fb20be43-11
0.226
MAK-UNK-be5ffcbc-4
0.225
NAU-LAT-f723e322-2
0.224
DAR-DIA-eace69ff-30
0.223
SAM-UNK-903735bd-1
0.223
ANT-OPE-47f3bb65-4
0.222
GAB-REV-4a4e2ff3-10
0.222
NAU-LAT-81109c57-7
0.221
ORN-MSD-5b974918-1
0.220
GAB-REV-4a4e2ff3-1
0.219
BEN-VAN-d8fd1356-13
0.219
TAM-UNI-c140e31a-9
0.218
MAK-UNK-ec98eaf6-33
0.218
GAB-REV-4a4e2ff3-15
0.218
MAR-TRE-be9ff7d2-39
0.218
GAB-REV-4a4e2ff3-8
0.217
GAB-REV-4a4e2ff3-19
0.216
FRA-DIA-8640f307-1
0.215
DAR-DIA-eace69ff-32
0.215
MAK-UNK-be5ffcbc-5
0.215
NAU-LAT-81109c57-6
0.215
DAR-DIA-eace69ff-24
0.214
TAM-UNI-c140e31a-22
0.214
ABI-SAT-30e287c1-2
0.211
NIR-THE-0d6461ce-2
0.211
DAR-DIA-eace69ff-33
0.211
JPB-FNM-6f110b99-1
0.209
ELE-IMP-dfb36048-6
0.207
WAR-XCH-e55cba98-3
0.207
AAR-POS-d2a4d1df-2
0.207
TAM-UNI-c140e31a-5
0.205
WAR-XCH-e55cba98-2
0.205
MAR-TRE-e82e6c98-91
0.204
NAU-LAT-81109c57-1
0.204
MAR-TRE-4f781e27-82
0.204
BEN-VAN-d8fd1356-12
0.204
MAK-UNK-10572812-12
0.203
BEN-VAN-d8fd1356-19
0.202
SAD-SAT-f25ee457-7
0.202
NAU-LAT-0543f7f2-4
0.202
MAR-TRE-4f781e27-81
0.200