Molecular Properties | |
SMILES: | C=CC(=O)N1C[C@H]2CN(S(=O)(=O)c3c(F)cccc3OCCCNc3ccc(C#N)cn3)C[C@H]2C1 |
MW: | 499.568 |
Fraction sp3: | 0.38 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 9 |
TPSA: | 115.63 |
cLogP: | 2.23828 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Aliphatic long chain
Activated haloaromatics
Hetero_hetero
JAN-GHE-bf40f168-1
0.787
JAN-GHE-bf40f168-7
0.763
JAN-GHE-bf40f168-8
0.696
JAN-GHE-bf40f168-4
0.443
MAK-UNK-af83ef51-25
0.366
JAN-GHE-bf40f168-5
0.336
MAK-UNK-af83ef51-26
0.333
MAK-UNK-af83ef51-23
0.333
MAK-UNK-af83ef51-32
0.328
JAG-SYN-9c2cd0bd-1
0.327
JAN-GHE-bf40f168-2
0.325
BEN-VAN-77cef4f8-10
0.321
BEN-VAN-77cef4f8-11
0.321
BEN-VAN-77cef4f8-12
0.318
JAN-GHE-bf40f168-6
0.315
MAK-UNK-148caf23-8
0.308
MAK-UNK-148caf23-13
0.295
MAK-UNK-148caf23-12
0.293
MAK-UNK-af83ef51-24
0.291
MAK-UNK-148caf23-18
0.286
LON-WEI-8f408cad-2
0.284
AAR-POS-d2a4d1df-32
0.284
MAR-TRE-6a44bbf2-4
0.284
MAK-UNK-148caf23-23
0.284
SAD-SAT-bc31ec01-10
0.282
MAK-UNK-148caf23-11
0.280
MAK-UNK-30aad1f1-2
0.278
MAK-UNK-148caf23-17
0.276
MAK-UNK-148caf23-15
0.276
MAK-UNK-148caf23-16
0.274
JAN-GHE-6413aaf8-4
0.273
BEN-DND-76ad4ac9-2
0.272
MAK-UNK-10dfa458-27
0.272
MAK-UNK-148caf23-14
0.270
MAK-UNK-148caf23-10
0.270
MAK-UNK-10dfa458-5
0.269
BEN-DND-03ad4429-3
0.269
AAR-POS-d2a4d1df-5
0.269
BEN-DND-03406596-2
0.266
BEN-DND-76ad4ac9-12
0.266
MAK-UNK-148caf23-22
0.265
MAK-UNK-148caf23-19
0.263
MAK-UNK-148caf23-21
0.263
MAK-UNK-148caf23-9
0.263
MAK-UNK-148caf23-20
0.261
SAD-SAT-2ceae68f-4
0.261
JAN-GHE-c863d918-1
0.261
MAK-UNK-30aad1f1-7
0.261
MAK-UNK-148caf23-7
0.257
MAK-UNK-30aad1f1-3
0.256
MAK-UNK-30aad1f1-14
0.256
BEN-VAN-77cef4f8-7
0.256
BEN-VAN-77cef4f8-8
0.256
MAK-UNK-30aad1f1-4
0.254
JAG-SYN-9c2cd0bd-12
0.252
VIK-SYN-9a3d118a-8
0.252
MAK-UNK-30aad1f1-1
0.252
MAK-UNK-30aad1f1-6
0.252
BEN-VAN-77cef4f8-9
0.252
SWA-SYN-d2e6fa14-4
0.250
SWA-SYN-6423ea73-4
0.250
JAN-GHE-6413aaf8-2
0.248
JAN-GHE-bf40f168-12
0.248
JOE-SYG-2c9a1216-3
0.248
JAG-SYN-9c2cd0bd-2
0.248
MAK-UNK-6435e6c2-6
0.248
MAK-UNK-51bb34f9-1
0.246
JOE-SYG-2c9a1216-1
0.246
SAD-SAT-f2e2579e-10
0.246
BEN-DND-362d364a-3
0.245
MAK-UNK-752736de-7
0.243
DRR-IMP-dff87f5e-9
0.243
MAK-UNK-30aad1f1-15
0.242
MAK-UNK-30aad1f1-17
0.241
JAG-SYN-9c2cd0bd-13
0.241
PET-SGC-cb62ec31-1
0.239
SAD-SAT-f2e2579e-4
0.238
NIR-THE-0d6461ce-7
0.235
SAD-SAT-9a6c5cf3-10
0.235
NIR-THE-0d6461ce-6
0.235
MAR-TRE-6a44bbf2-7
0.234
PET-SGC-cb83a00c-1
0.234
MAK-UNK-3f402c2b-9
0.234
AAR-POS-d2a4d1df-37
0.234
JAN-GHE-fd8d85a5-5
0.233
DAR-DIA-fb20be43-4
0.233
PAU-UNI-52c0427f-1
0.233
TAT-ENA-80bfd3e5-10
0.233
BRU-LEF-ae0885ba-1
0.233
MAK-UNK-752736de-11
0.232
MAR-TRE-6a44bbf2-8
0.231
DRR-IMP-dff87f5e-5
0.231
AAR-POS-d2a4d1df-34
0.231
WAR-XCH-72a8c209-1
0.231
MED-COV-4280ac29-34
0.231
NAU-LAT-64f4b287-1
0.231
LON-WEI-babf2c61-3
0.230
TRY-UNI-9f475305-9
0.230
BRU-THA-4b053743-1
0.229
ALP-POS-c56c1477-1
0.229