Molecular Properties | |
SMILES: | C=CC(=O)N1CC(NS(=O)(=O)c2c(F)cccc2OCCCNc2ccc(C#N)cn2)C1 |
MW: | 459.503 |
Fraction sp3: | 0.29 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 10 |
TPSA: | 124.42 |
cLogP: | 1.64848 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Aliphatic long chain
Activated haloaromatics
Hetero_hetero
JAN-GHE-bf40f168-3
0.696
JAN-GHE-bf40f168-1
0.673
JAN-GHE-bf40f168-7
0.638
JAN-GHE-bf40f168-5
0.448
MAK-UNK-af83ef51-25
0.352
JAN-GHE-bf40f168-4
0.347
MAK-UNK-af83ef51-23
0.320
MAK-UNK-af83ef51-26
0.320
BEN-VAN-77cef4f8-10
0.318
BEN-VAN-77cef4f8-12
0.316
JAN-GHE-bf40f168-2
0.312
BEN-VAN-77cef4f8-11
0.308
MAK-UNK-af83ef51-32
0.304
JAN-GHE-bf40f168-6
0.302
JAG-SYN-9c2cd0bd-1
0.297
MAK-UNK-148caf23-8
0.296
MAK-UNK-148caf23-12
0.281
SAD-SAT-bc31ec01-10
0.280
JAN-GHE-c863d918-1
0.280
MAK-UNK-af83ef51-24
0.279
MAK-UNK-148caf23-13
0.274
MAK-UNK-148caf23-15
0.274
MAK-UNK-148caf23-18
0.274
MAK-UNK-148caf23-23
0.272
MAK-UNK-148caf23-9
0.270
MAK-UNK-148caf23-11
0.269
MAK-UNK-148caf23-10
0.268
AAR-POS-d2a4d1df-5
0.266
MAK-UNK-30aad1f1-2
0.265
MAK-UNK-148caf23-17
0.265
MAK-UNK-51bb34f9-1
0.263
MAK-UNK-148caf23-16
0.263
MAK-UNK-148caf23-14
0.259
SAD-SAT-2ceae68f-4
0.258
BEN-VAN-77cef4f8-7
0.254
MAK-UNK-148caf23-22
0.254
TAT-ENA-80bfd3e5-10
0.252
BEN-DND-362d364a-3
0.252
MAK-UNK-148caf23-21
0.252
MAK-UNK-148caf23-19
0.252
BEN-VAN-77cef4f8-9
0.250
MAK-UNK-148caf23-20
0.250
MAK-UNK-30aad1f1-7
0.248
MAK-UNK-148caf23-7
0.246
JAN-GHE-6413aaf8-2
0.246
JAN-GHE-bf40f168-10
0.246
JOE-SYG-2c9a1216-3
0.246
MAR-TRE-6a44bbf2-4
0.245
BEN-DND-76ad4ac9-2
0.245
LON-WEI-8f408cad-2
0.245
AAR-POS-d2a4d1df-32
0.245
MAK-UNK-10dfa458-27
0.245
BEN-VAN-77cef4f8-8
0.244
JOE-SYG-2c9a1216-1
0.244
MAK-UNK-30aad1f1-3
0.244
MAK-UNK-3f402c2b-9
0.243
MAK-UNK-30aad1f1-4
0.242
MAK-UNK-752736de-7
0.241
MAK-UNK-30aad1f1-6
0.240
MAK-UNK-30aad1f1-17
0.239
VIK-SYN-9a3d118a-8
0.239
PET-SGC-cb62ec31-1
0.236
MAK-UNK-30aad1f1-14
0.233
BEN-VAN-77cef4f8-13
0.232
BEN-VAN-77cef4f8-14
0.232
MAK-UNK-10dfa458-5
0.231
BEN-DND-03ad4429-3
0.231
MAK-UNK-30aad1f1-8
0.231
MAK-UNK-30aad1f1-1
0.230
MAK-UNK-752736de-11
0.230
BEN-DND-03406596-2
0.230
BEN-DND-76ad4ac9-12
0.230
WAR-XCH-72a8c209-1
0.230
LON-WEI-babf2c61-3
0.229
JAG-SYN-9c2cd0bd-12
0.227
ALP-POS-c56c1477-1
0.227
BRU-THA-4b053743-1
0.227
SAD-SAT-f2e2579e-4
0.226
JAN-GHE-6413aaf8-10
0.226
DAN-MCD-02570321-1
0.226
WAR-XCH-b0339bbe-16
0.225
MAK-UNK-ec98eaf6-10
0.224
SID-ELM-433ea7f3-2
0.224
NIR-THE-0d6461ce-6
0.223
NIR-THE-0d6461ce-7
0.223
SAD-SAT-f2e2579e-10
0.223
JAN-GHE-fd8d85a5-11
0.222
JAG-SYN-9c2cd0bd-2
0.222
MAR-TRE-6a44bbf2-7
0.221
AAR-POS-d2a4d1df-37
0.221
MAK-UNK-6435e6c2-6
0.221
PET-UNK-2337ec19-1
0.221
PET-UNK-2337ec19-3
0.221
BRU-LEF-ae0885ba-1
0.220
DAR-DIA-fb20be43-4
0.220
PAU-UNI-52c0427f-1
0.220
MAR-TRE-74c6519b-96
0.220
MAK-UNK-30aad1f1-15
0.220
SWA-SYN-d2e6fa14-4
0.219
SWA-SYN-6423ea73-4
0.219