Molecular Properties | |
SMILES: | CS(=O)(=O)NCc1cc(C#N)cnc1N |
MW: | 226.261 |
Fraction sp3: | 0.25 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 108.87 |
cLogP: | -0.41532 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
aniline
Hetero_hetero
MAR-UNI-9d4da90d-1
0.547
PET-SGC-90aed325-1
0.429
BEN-DND-362d364a-6
0.429
MAR-UNI-9d4da90d-6
0.373
MAR-UNI-9d4da90d-3
0.367
GAB-REV-df64cf17-9
0.365
MAR-UNI-9d4da90d-4
0.359
MAK-UNK-516d8086-2
0.333
PET-SGC-9a4d8c0f-1
0.318
ROB-UNI-b2e39629-1
0.309
ANT-DIA-b7f58f21-8
0.309
JAN-UNI-2e92c4b1-4
0.306
JAN-GHE-fd8d85a5-11
0.303
JAN-UNI-2e92c4b1-5
0.301
AAR-POS-d2a4d1df-5
0.293
ROB-UNI-b2e39629-10
0.293
DAR-DIA-fb20be43-4
0.282
PAU-UNI-52c0427f-1
0.282
BRU-LEF-ae0885ba-1
0.282
GAB-REV-df64cf17-17
0.282
MAR-TRE-66ac689e-30
0.280
JAN-GHE-fd8d85a5-1
0.280
JAN-GHE-fd8d85a5-4
0.278
PET-SGC-f147f0b6-1
0.278
ROB-UNI-b2e39629-3
0.276
TRY-UNI-1fd04853-3
0.276
GAB-REV-df64cf17-1
0.272
TRY-UNI-1fd04853-1
0.268
PET-SGC-175e168c-1
0.268
NIR-THE-0d6461ce-6
0.268
GAB-REV-df64cf17-15
0.268
WAR-XCH-6eb0722e-1
0.267
JAN-UNI-2e92c4b1-3
0.267
PET-SGC-39d74636-2
0.267
JOH-UNK-14e6adc5-6
0.267
JAN-GHE-fd8d85a5-5
0.266
PET-SGC-34dcf0dc-1
0.266
LIZ-THE-7023c732-2
0.260
PET-SGC-0ecb2cfe-1
0.259
ROB-UNI-b2e39629-5
0.259
IND-SYN-aa221fbf-1
0.258
IND-SYN-2c708b29-5
0.258
PET-SGC-0f1d26ed-1
0.256
JAN-GHE-fd8d85a5-6
0.256
MAK-UNK-516d8086-19
0.256
SCO-VAN-260d9628-4
0.253
MIH-UNI-3396182e-5
0.253
MAK-UNK-752736de-11
0.250
MAK-UNK-516d8086-1
0.250
ANT-DIA-b7f58f21-9
0.247
MAK-UNK-516d8086-5
0.247
MAK-UNK-516d8086-21
0.247
MAK-UNK-ec98eaf6-22
0.244
MAK-UNK-516d8086-13
0.244
MAK-UNK-516d8086-20
0.244
WAR-XCH-79d12f6e-11
0.244
THO-SYG-98fc3427-5
0.242
WAR-XCH-6eb0722e-3
0.242
MAK-UNK-516d8086-3
0.241
GAB-REV-df64cf17-19
0.241
MIH-UNI-3396182e-9
0.241
ABI-SAT-a53b70f8-4
0.241
GAB-REV-df64cf17-21
0.241
MAK-UNK-ec98eaf6-37
0.239
NIR-THE-0d6461ce-7
0.238
MAK-UNK-30aad1f1-3
0.238
LIZ-THE-7023c732-1
0.236
MAK-UNK-516d8086-25
0.236
MAK-UNK-27459e11-8
0.235
THO-SYG-98fc3427-6
0.235
THO-SYG-98fc3427-4
0.235
MAK-UNK-95198336-15
0.234
DAR-DIA-23aa0b97-7
0.234
MAK-UNK-752736de-7
0.234
ANT-DIA-b7f58f21-7
0.233
GAB-REV-df64cf17-18
0.233
MAK-UNK-516d8086-9
0.233
MAK-UNK-516d8086-32
0.233
WAR-XCH-79d12f6e-2
0.231
UNK-CYC-68f84b31-91
0.230
MAK-UNK-516d8086-8
0.230
TRY-UNI-1fd04853-2
0.229
MAK-UNK-30aad1f1-16
0.229
JOR-UNI-61e7b1d5-1
0.229
THO-SYG-cc9e9a11-3
0.228
BEN-DND-61647d40-7
0.228
TAM-UNI-c140e31a-20
0.227
MAK-UNK-516d8086-10
0.227
PET-SGC-cb62ec31-1
0.227
MAR-TRE-a9136c7b-39
0.227
SAD-SAT-cefd50cc-10
0.226
SAD-SAT-24589cd1-3
0.226
THO-SYG-cc9e9a11-7
0.226
DAR-DIA-fb20be43-17
0.226
GAB-REV-df64cf17-7
0.226
JOR-UNI-61e7b1d5-8
0.226
THO-SYG-98fc3427-7
0.225
DAR-DIA-23aa0b97-9
0.225
AND-WAB-6ed53ced-1
0.225
ALP-POS-df536be7-5
0.225