Molecular Properties | |
SMILES: | N#Cc1ccc(NS(=O)(=O)/C=C/c2ccc(Cl)cc2)nc1 |
MW: | 319.02 |
Fraction sp3: | 0.0 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 82.85 |
cLogP: | 3.02 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Source | |
Mcule: | MCULE-2994249691 |
Activated double bonds (3)
Filter88_ene_sulfone
Hetero_hetero
phenylethene
MAK-UNK-752736de-11
0.733
AAR-POS-d2a4d1df-5
0.333
MAK-UNK-30aad1f1-17
0.329
MAK-UNK-30aad1f1-12
0.294
MAK-UNK-30aad1f1-2
0.284
MAK-UNK-af83ef51-32
0.280
PET-SGC-cb62ec31-1
0.278
WAR-XCH-72a8c209-1
0.278
MAK-UNK-30aad1f1-7
0.275
MAK-UNK-af83ef51-26
0.275
MAK-UNK-30aad1f1-14
0.270
MAK-UNK-30aad1f1-8
0.267
MAK-UNK-30aad1f1-15
0.264
MAK-UNK-af83ef51-24
0.262
MAK-UNK-30aad1f1-16
0.261
MAK-UNK-30aad1f1-3
0.256
JAN-GHE-bf40f168-5
0.255
JAN-GHE-bf40f168-2
0.252
JAN-GHE-bf40f168-1
0.252
MAK-UNK-30aad1f1-9
0.250
MAK-UNK-30aad1f1-1
0.250
MAK-UNK-30aad1f1-6
0.250
MAK-UNK-af83ef51-23
0.250
MAR-TRE-6c5ef77a-70
0.247
MAR-TRE-1c920f6f-71
0.246
JAN-GHE-bf40f168-7
0.245
MAK-UNK-148caf23-13
0.245
JAN-GHE-bf40f168-4
0.245
WAR-XCH-b0339bbe-16
0.244
JAN-GHE-bf40f168-3
0.243
JAN-GHE-bf40f168-6
0.243
JAN-GHE-bf40f168-8
0.241
MAK-UNK-af83ef51-25
0.241
MAK-UNK-30aad1f1-4
0.240
PAU-UNI-52c0427f-1
0.239
DAR-DIA-fb20be43-4
0.239
BRU-LEF-ae0885ba-1
0.239
MAR-TRE-8190bb11-84
0.235
MAK-UNK-148caf23-7
0.235
MAR-UNI-9d4da90d-2
0.234
AAR-RCN-934be69e-1
0.233
MAK-UNK-148caf23-22
0.232
MAK-UNK-148caf23-23
0.232
MAK-UNK-148caf23-14
0.228
MAK-UNK-148caf23-11
0.227
MAK-UNK-148caf23-15
0.223
MAK-UNK-148caf23-17
0.223
MAK-UNK-148caf23-18
0.223
MAR-TRE-4f781e27-70
0.222
MAK-UNK-148caf23-12
0.221
MAK-UNK-148caf23-16
0.221
UNK-CYC-68f84b31-91
0.221
MAR-TRE-92684b97-69
0.221
VIK-SYN-9a3d118a-8
0.221
TAT-ENA-80bfd3e5-2
0.220
MAK-UNK-148caf23-9
0.219
MAK-UNK-148caf23-19
0.219
MAK-UNK-148caf23-21
0.219
MAR-TRE-f6f5f473-97
0.218
BEN-VAN-77cef4f8-12
0.217
MAK-UNK-148caf23-10
0.217
MAK-UNK-148caf23-8
0.217
BEN-VAN-77cef4f8-9
0.216
ANN-UNI-26382800-3
0.215
JOH-UNK-14e6adc5-2
0.215
MAR-TRE-1c920f6f-72
0.214
STU-CHA-128b80be-1
0.214
AGN-NEW-891393a6-9
0.213
MAR-TRE-0fda4e82-48
0.213
MAR-TRE-9d18ae8c-92
0.213
MAR-TRE-92684b97-9
0.212
MAR-TRE-8190bb11-1
0.212
MAR-TRE-8190bb11-60
0.212
PET-SGC-cb83a00c-1
0.212
WAR-XCH-eb7b662f-2
0.212
GAB-REV-df64cf17-17
0.211
MAR-TRE-a3327163-48
0.211
MAK-UNK-51bb34f9-1
0.211
MAR-TRE-c317dd82-28
0.209
RIT-AID-1c9a4e61-1
0.209
BEN-VAN-77cef4f8-7
0.209
BEN-VAN-77cef4f8-8
0.209
TAM-UNI-d1c3dd9f-17
0.209
TAM-UNI-d1c3dd9f-18
0.209
BEN-VAN-77cef4f8-10
0.209
BEN-VAN-77cef4f8-11
0.209
IND-SYN-2c708b29-5
0.208
IND-SYN-aa221fbf-1
0.208
TAT-ENA-80bfd3e5-35
0.208
MAR-TRE-6c5ef77a-57
0.208
BEN-DND-362d364a-6
0.207
PET-SGC-90aed325-1
0.207
JAN-GHE-fd8d85a5-1
0.207
MAK-UNK-148caf23-20
0.207
MAR-TRE-a3327163-33
0.207
DAV-CRI-d1e0885a-3
0.207
MAR-TRE-1c920f6f-28
0.203
MAR-TRE-a9136c7b-39
0.202
TAT-ENA-80bfd3e5-11
0.202
DAV-CRI-d1e0885a-2
0.202