Molecular Properties | |
SMILES: | Cc1ccc(/C=C/S(=O)(=O)Nc2ccc(C#N)cn2)cc1 |
MW: | 299.07 |
Fraction sp3: | 0.07 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 82.85 |
cLogP: | 2.67 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Source | |
Mcule: | MCULE-5412580438 |
Activated double bonds (3)
Filter88_ene_sulfone
Hetero_hetero
phenylethene
MAK-UNK-752736de-7
0.733
PET-SGC-cb62ec31-1
0.384
AAR-POS-d2a4d1df-5
0.355
MAK-UNK-30aad1f1-17
0.312
MAK-UNK-af83ef51-26
0.287
JAN-GHE-bf40f168-2
0.277
JAN-GHE-bf40f168-4
0.269
MAK-UNK-af83ef51-32
0.267
JAN-GHE-bf40f168-5
0.267
JAN-GHE-bf40f168-6
0.267
MAK-UNK-30aad1f1-12
0.264
MAK-UNK-af83ef51-24
0.262
MAK-UNK-30aad1f1-2
0.256
MAR-TRE-1c920f6f-78
0.250
MAK-UNK-30aad1f1-15
0.250
MAR-UNI-9d4da90d-2
0.250
MAK-UNK-af83ef51-23
0.250
MAK-UNK-30aad1f1-7
0.247
MAK-UNK-30aad1f1-16
0.247
WAR-XCH-b0339bbe-16
0.244
MAK-UNK-148caf23-23
0.243
IND-SYN-aa221fbf-1
0.243
IND-SYN-2c708b29-5
0.243
MAK-UNK-30aad1f1-14
0.242
MAK-UNK-30aad1f1-3
0.242
MAK-UNK-148caf23-9
0.241
MAK-UNK-af83ef51-25
0.241
JAN-GHE-bf40f168-1
0.241
MAK-UNK-30aad1f1-8
0.239
MAK-UNK-30aad1f1-9
0.237
WAR-XCH-72a8c209-1
0.237
MAR-TRE-92684b97-69
0.235
MAK-UNK-148caf23-7
0.235
JAN-GHE-bf40f168-7
0.234
MAK-UNK-148caf23-13
0.234
MAK-UNK-148caf23-18
0.234
UNK-CYC-68f84b31-91
0.234
JAN-GHE-bf40f168-3
0.232
MAK-UNK-148caf23-16
0.232
BEN-VAN-77cef4f8-7
0.231
BEN-VAN-77cef4f8-10
0.230
JAN-GHE-bf40f168-8
0.230
MAK-UNK-148caf23-19
0.230
MAK-UNK-148caf23-14
0.228
MAK-UNK-148caf23-11
0.227
AGN-NEW-891393a6-9
0.227
MAK-UNK-30aad1f1-4
0.227
PAU-UNI-52c0427f-1
0.225
DAR-DIA-fb20be43-4
0.225
BRU-LEF-ae0885ba-1
0.225
MAK-UNK-30aad1f1-1
0.224
MAK-UNK-30aad1f1-6
0.224
MAK-UNK-148caf23-15
0.223
MAK-UNK-148caf23-17
0.223
BEN-DND-362d364a-6
0.222
PET-SGC-90aed325-1
0.222
GAB-REV-df64cf17-14
0.222
MAK-UNK-148caf23-12
0.221
MAK-UNK-148caf23-22
0.221
VIK-SYN-9a3d118a-8
0.221
BEN-VAN-77cef4f8-8
0.220
TAT-ENA-80bfd3e5-35
0.220
BEN-VAN-77cef4f8-11
0.219
MAK-UNK-148caf23-21
0.219
KEI-TRE-fa9ada3e-18
0.219
MAR-TRE-f6f5f473-63
0.218
BEN-VAN-77cef4f8-12
0.217
MAK-UNK-148caf23-10
0.217
MAK-UNK-148caf23-20
0.217
BEN-VAN-77cef4f8-9
0.216
MAR-TRE-92684b97-59
0.214
MAR-TRE-14ce9fd6-26
0.213
MAK-UNK-516d8086-1
0.213
MAR-TRE-92684b97-9
0.212
NAU-LAT-b0463c38-7
0.212
PET-SGC-cb83a00c-1
0.212
LIZ-THE-7023c732-1
0.210
MAR-TRE-c317dd82-28
0.209
GAB-REV-df64cf17-9
0.209
IND-SYN-2c708b29-4
0.208
MAR-TRE-14ce9fd6-78
0.208
JAN-GHE-fd8d85a5-1
0.207
BEN-VAN-77cef4f8-13
0.207
BEN-VAN-77cef4f8-14
0.207
MAR-TRE-8190bb11-84
0.207
MAK-UNK-148caf23-8
0.207
TAT-ENA-80bfd3e5-2
0.207
GAB-REV-df64cf17-7
0.206
MAR-TRE-92684b97-21
0.205
CLI-TLC-bf000c24-1
0.205
SAD-SAT-cefd50cc-10
0.204
MAR-TRE-8190bb11-44
0.202
MAR-TRE-a9136c7b-39
0.202
LIZ-THE-7023c732-2
0.202
MAR-TRE-799db12b-5
0.202
TAT-ENA-80bfd3e5-11
0.202
MAK-UNK-516d8086-7
0.202
STE-LAU-c06d08a8-1
0.202
TRY-UNI-1fd04853-3
0.200
AGN-NEW-891393a6-11
0.200