Molecular Properties | |
SMILES: | Cc1nnc(Cc2nccc3ccc(S(N)(=O)=O)cc23)s1 |
MW: | 320.399 |
Fraction sp3: | 0.15 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 98.83 |
cLogP: | 1.63292 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
SAD-SAT-cefd50cc-8
0.330
NAU-LAT-42d4957e-4
0.326
SAD-SAT-cefd50cc-9
0.319
PET-SGC-c4a91520-1
0.311
PET-SGC-f147f0b6-1
0.284
SAD-SAT-f25ee457-7
0.283
PET-SGC-6062269a-1
0.247
NIM-UNI-7ba87d62-1
0.245
ANT-OPE-47f3bb65-4
0.241
LIZ-THE-6efed59f-2
0.239
WAL-WAB-c1441da0-2
0.239
MIH-UNI-e573136b-4
0.237
SCO-VAN-260d9628-7
0.234
IND-SYN-5e5c1c3e-1
0.230
IND-SYN-830dcead-1
0.230
IND-SYN-a2b2ab0e-2
0.230
ALE-HEI-f28a35b5-5
0.229
SIM-DEM-5935bd74-2
0.229
MAK-UNK-10799360-14
0.228
ASH-UNK-40b46b30-5
0.227
MAR-TRE-ebcc4ad6-47
0.227
PET-SGC-85e821e4-1
0.226
ALE-HEI-f28a35b5-3
0.226
JAN-GHE-1d98ec1c-1
0.225
MAT-POS-90fd5f68-29
0.224
MAK-UNK-bae89c02-3
0.224
SIM-DEM-5935bd74-4
0.224
MAK-UNK-ec98eaf6-36
0.222
LIZ-THE-d3ff4653-2
0.221
MAK-UNK-69bf97dd-4
0.220
SAD-SAT-f25ee457-8
0.220
SIM-DEM-5935bd74-1
0.218
PET-SGC-85e821e4-2
0.218
JAN-GHE-1d98ec1c-5
0.217
ASH-UNK-40b46b30-6
0.217
TRY-UNI-1fd04853-4
0.217
LIZ-THE-6efed59f-1
0.217
WAL-WAB-9cbe20c2-2
0.217
IND-SYN-5e5c1c3e-2
0.216
IND-SYN-a2b2ab0e-1
0.216
LIZ-THE-d3ff4653-1
0.216
SAD-SAT-f25ee457-9
0.216
WAR-XCH-b72a1bbc-2
0.214
SIM-DEM-5935bd74-3
0.213
NIM-UNI-363644a0-1
0.212
LIZ-THE-6efed59f-3
0.212
SIM-DEM-5935bd74-7
0.212
JAC-UNI-8d446b52-1
0.212
MAK-UNK-53da93bf-5
0.211
RAL-THA-b9d6aec1-3
0.211
HEI-REL-0c990a45-4
0.211
WAR-XCH-b72a1bbc-23
0.210
AAR-POS-d2a4d1df-8
0.210
MAR-TRE-67513f76-66
0.209
WAR-XCH-b6889685-21
0.207
GER-FIO-88d97d8c-2
0.206
MIH-UNI-6b9ca91a-9
0.206
PET-SGC-83d43576-1
0.206
MAK-UNK-8145c7a0-5
0.206
WAR-XCH-b72a1bbc-4
0.205
GER-UNI-05c7e912-1
0.205
GAB-REV-df64cf17-17
0.204
DAV-CRI-f9b12666-9
0.203
CHR-UNK-e061132b-1
0.202
CHR-UNK-b46452fc-1
0.202
MAK-UNK-8145c7a0-6
0.202
NIM-UNI-b87c0f72-3
0.202
NIM-UNI-b87c0f72-4
0.202
WAR-XCH-b6889685-15
0.200
MAR-TRE-8190bb11-94
0.200
JAR-KUA-41bd5a3d-4
0.200
ALF-EVA-82cf4849-8
0.200
MAK-UNK-8145c7a0-7
0.200
LIZ-THE-57c545eb-1
0.200
KEI-UNI-85a52787-3
0.198
WAR-XCH-b72a1bbc-36
0.198
MAK-UNK-0b1cbb06-5
0.198
WAR-XCH-b6889685-54
0.198
AAR-POS-d2a4d1df-4
0.198
IND-SYN-8f867502-2
0.198
DAV-CRI-f9b12666-10
0.197
DAV-CRI-f9b12666-1
0.197
MAR-TRE-2fd8122f-5
0.196
PET-SGC-d0fd10df-1
0.196
NIR-THE-0d6461ce-5
0.196
WAR-XCH-b6889685-22
0.196
MAR-TRE-67513f76-68
0.196
MAT-POS-b5746674-77
0.196
WAR-XCH-b6889685-56
0.195
WAR-XCH-b6889685-50
0.194
MAR-TRE-1c920f6f-95
0.194
WAR-XCH-b72a1bbc-8
0.194
PET-SGC-481b48b7-2
0.194
IND-SYN-8f867502-1
0.193
DAV-CRI-f9b12666-2
0.192
WAR-XCH-b72a1bbc-9
0.192
DAV-CRI-f9b12666-3
0.192
WAR-XCH-b6889685-2
0.191
EDJ-MED-e58735b6-3
0.191
WAR-XCH-b72a1bbc-41
0.191