Molecular Properties | |
SMILES: | Cc1ccc(C)c(S(=O)(=O)NCc2ccccc2C#N)c1 |
MW: | 300.383 |
Fraction sp3: | 0.19 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 69.96 |
cLogP: | 2.65362 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Hetero_hetero
WAR-XCH-79d12f6e-2
0.672
MAR-TRE-a78003aa-46
0.310
GAB-REV-4a4e2ff3-13
0.296
GAB-REV-df64cf17-9
0.287
WAR-XCH-b0339bbe-8
0.287
ROB-UNI-b2e39629-1
0.282
ANT-DIA-b7f58f21-8
0.282
MAK-UNK-6ca90168-9
0.282
WAR-XCH-b0339bbe-13
0.278
MAR-TRE-1c920f6f-93
0.277
MAR-TRE-92684b97-69
0.274
WAR-XCH-79d12f6e-6
0.272
MAR-TRE-14ce9fd6-87
0.272
AAR-POS-0daf6b7e-3
0.272
RHE-UNK-eb059eb9-1
0.272
MAR-TRE-6a44bbf2-13
0.272
MAR-TRE-14ce9fd6-63
0.269
MAR-TRE-fffca54f-13
0.264
RAL-THA-2d450e86-40
0.261
WAR-XCH-72a8c209-6
0.261
JAR-KUA-41bd5a3d-12
0.259
WAR-XCH-b0339bbe-14
0.258
ANT-DIA-b7f58f21-3
0.254
WIL-UNI-1faa9b10-22
0.250
MAK-UNK-3f402c2b-17
0.250
SAD-SAT-2ceae68f-3
0.250
PET-SGC-90aed325-1
0.247
BEN-DND-362d364a-6
0.247
MAR-TRE-92684b97-21
0.244
MAR-UNI-9d4da90d-2
0.244
MAK-UNK-27459e11-7
0.240
MAR-TRE-14ce9fd6-26
0.240
MAR-TRE-1c920f6f-83
0.239
WIL-UNI-1faa9b10-27
0.238
MAK-UNK-10799360-18
0.238
JUA-UNI-b93289a4-2
0.237
IND-SYN-2c708b29-5
0.236
IND-SYN-aa221fbf-1
0.236
MAR-TRE-6a44bbf2-7
0.235
AAR-POS-d2a4d1df-37
0.235
WAR-XCH-72a8c209-11
0.234
MAK-UNK-27459e11-8
0.234
MAR-TRE-92684b97-13
0.233
PET-SGC-0f1d26ed-2
0.233
WAR-XCH-72a8c209-14
0.232
WAR-XCH-b0339bbe-12
0.232
WAR-XCH-79d12f6e-1
0.232
WAR-XCH-72a8c209-10
0.232
JUA-UNI-b93289a4-3
0.231
MAR-TRE-6a44bbf2-93
0.228
NAU-LAT-445f63e5-4
0.226
MAR-TRE-14ce9fd6-27
0.226
MAK-UNK-bae89c02-2
0.225
PET-SGC-0f1d26ed-1
0.225
WAR-XCH-6eb0722e-1
0.224
MAR-TRE-2fd8122f-25
0.224
MAR-TRE-92684b97-40
0.224
WAR-XCH-bdd24732-47
0.223
KAT-FAI-9b65c29e-1
0.222
MAT-POS-b5746674-51
0.220
TRY-UNI-1fd04853-3
0.220
MAK-UNK-194150d3-1
0.220
PET-SGC-6062269a-1
0.220
MAR-TRE-0fda4e82-41
0.219
MAR-TRE-1c920f6f-30
0.219
PAU-WEI-b9b69149-6
0.218
SIM-DEM-f31d0e65-1
0.217
JUA-UNI-a9dfaed1-2
0.217
NAU-LAT-f723e322-5
0.216
WAR-XCH-6eb0722e-5
0.216
MED-COV-4280ac29-24
0.215
MAR-TRE-14ce9fd6-43
0.215
AAR-POS-d2a4d1df-1
0.214
MAT-POS-b5746674-123
0.214
TAM-UNI-d1c3dd9f-10
0.214
MAK-UNK-27459e11-9
0.213
MAK-UNK-27459e11-15
0.212
MAR-TRE-f5c2d31c-12
0.212
PET-SGC-cb62ec31-1
0.212
ALP-POS-95b75b4d-9
0.211
JUA-UNI-a9dfaed1-3
0.210
MAK-UNK-27459e11-10
0.210
MAR-TRE-92684b97-59
0.209
RED-RED-10c9212c-28
0.209
HUB-UNK-9845d277-2
0.209
JAR-IMP-ed466bb3-19
0.209
MAR-TRE-1c920f6f-26
0.208
HUB-UNK-9845d277-13
0.208
MAR-TRE-f5c2d31c-34
0.208
MAR-UNI-9d4da90d-3
0.208
UNK-CYC-68f84b31-75
0.208
MAR-TRE-92684b97-48
0.207
MAK-UNK-07311286-2
0.207
MAR-TRE-0fda4e82-9
0.207
KEI-TRE-d5e2018a-86
0.206
ANT-DIA-b7f58f21-9
0.206
MAK-UNK-ec98eaf6-53
0.206
MAR-TRE-1c920f6f-71
0.205
MAR-TRE-6a44bbf2-48
0.205
SAD-SAT-65574d3f-4
0.205