Molecular Properties | |
SMILES: | Cc1ccc(S(=O)(=O)NCc2ccccc2C#N)c(C)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-11
0.672
WAR-XCH-79d12f6e-1
0.370
WAR-XCH-b0339bbe-12
0.370
MAR-TRE-f5c2d31c-12
0.322
MAR-TRE-a78003aa-46
0.313
WAR-XCH-bdd24732-47
0.310
GAB-REV-df64cf17-9
0.306
GAB-REV-4a4e2ff3-13
0.299
FRA-BIO-8bf1eac9-1
0.284
WAR-XCH-b0339bbe-13
0.281
JAR-KUA-41bd5a3d-12
0.278
WAR-XCH-b0339bbe-8
0.276
MAR-TRE-14ce9fd6-87
0.275
AAR-POS-d2a4d1df-36
0.275
MAR-TRE-14ce9fd6-63
0.273
MAK-UNK-6ca90168-9
0.269
ANT-DIA-b7f58f21-8
0.269
ROB-UNI-b2e39629-1
0.269
MAR-TRE-92684b97-21
0.263
WAR-XCH-b0339bbe-14
0.261
JUA-UNI-b93289a4-2
0.256
MAR-TRE-92684b97-48
0.253
WIL-UNI-1faa9b10-22
0.253
RAL-THA-2d450e86-40
0.250
WAR-XCH-72a8c209-6
0.250
MAR-TRE-1c920f6f-93
0.250
BEN-DND-362d364a-6
0.250
PET-SGC-90aed325-1
0.250
JAN-GHE-4287bd1a-1
0.247
MAR-TRE-1c920f6f-83
0.241
MAK-UNK-3f402c2b-12
0.241
WIL-UNI-1faa9b10-27
0.241
ANT-DIA-b7f58f21-3
0.239
MAR-TRE-fffca54f-13
0.239
PET-SGC-0f1d26ed-2
0.235
JUA-UNI-a9dfaed1-2
0.235
JUA-UNI-b93289a4-3
0.234
MAR-TRE-92684b97-69
0.233
MAR-UNI-9d4da90d-2
0.231
NAU-LAT-445f63e5-4
0.229
MAK-UNK-10799360-18
0.229
PET-SGC-0f1d26ed-1
0.227
ALP-POS-95b75b4d-9
0.227
MAK-UNK-27459e11-7
0.227
MAR-TRE-14ce9fd6-26
0.227
MAR-TRE-2fd8122f-25
0.226
MAR-TRE-92684b97-59
0.226
KAT-FAI-9b65c29e-1
0.224
AAR-POS-d2a4d1df-37
0.224
MAR-TRE-6a44bbf2-7
0.224
WAR-XCH-72a8c209-11
0.223
MIC-UNK-2744a8e2-4
0.223
MIC-UNK-2744a8e2-5
0.223
WAR-XCH-72a8c209-14
0.222
IND-SYN-2c708b29-5
0.222
MAK-UNK-194150d3-1
0.222
IND-SYN-aa221fbf-1
0.222
PET-SGC-6062269a-1
0.222
MAR-TRE-0fda4e82-41
0.222
UNK-CYC-68f84b31-75
0.221
WAR-XCH-bdd24732-46
0.221
WAR-XCH-72a8c209-10
0.221
MAK-UNK-27459e11-8
0.221
MAR-TRE-66ac689e-30
0.218
MED-COV-4280ac29-24
0.217
UNK-CYC-68f84b31-42
0.217
ANT-DIA-3c79be55-2
0.217
MAT-POS-b5746674-123
0.216
MIC-UNK-2744a8e2-2
0.216
TAM-UNI-d1c3dd9f-10
0.216
GAB-REV-df64cf17-1
0.215
WAR-XCH-6eb0722e-1
0.214
MAR-UNI-9d4da90d-4
0.212
JUA-UNI-a9dfaed1-3
0.212
LON-WEI-b2874fec-23
0.212
MIH-UNI-3396182e-11
0.212
MAK-UNK-af83ef51-22
0.212
RED-RED-10c9212c-28
0.211
MAR-UNI-9d4da90d-1
0.211
ANT-DIA-3c79be55-3
0.210
TRY-UNI-1fd04853-3
0.210
MAR-TRE-a9136c7b-43
0.209
MAK-UNK-07311286-2
0.209
GAB-REV-df64cf17-18
0.208
MAR-TRE-1c920f6f-71
0.208
JON-UIO-d28d79fe-2
0.208
MAT-POS-b5746674-50
0.207
MAR-TRE-92684b97-11
0.207
MAK-UNK-3f402c2b-13
0.207
MAR-TRE-8190bb11-38
0.207
SIM-DEM-f31d0e65-1
0.207
WAR-XCH-6eb0722e-5
0.206
MIC-UNK-2744a8e2-9
0.206
TRY-UNI-1fd04853-2
0.204
MAR-TRE-14ce9fd6-43
0.204
ANT-DIA-3c79be55-1
0.204
MAK-UNK-bae89c02-2
0.204
AGN-NEW-c7b24fe3-3
0.202
KIM-UNI-7d12df64-2
0.202
ROB-UNI-b2e39629-3
0.202