Molecular Properties | |
SMILES: | C=CC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2OCCCNc2ccc(C#N)cn2)CC1 |
MW: | 473.53 |
Fraction sp3: | 0.32 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 9 |
TPSA: | 115.63 |
cLogP: | 1.99228 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Aliphatic long chain
Activated haloaromatics
Hetero_hetero
JAN-GHE-bf40f168-3
0.787
JAN-GHE-bf40f168-7
0.722
JAN-GHE-bf40f168-8
0.673
JAG-SYN-9c2cd0bd-1
0.465
JAN-GHE-bf40f168-2
0.420
MAK-UNK-af83ef51-25
0.355
MAR-TRE-6a44bbf2-4
0.351
LON-WEI-8f408cad-2
0.351
AAR-POS-d2a4d1df-32
0.351
MAK-UNK-10dfa458-27
0.351
MAK-UNK-10dfa458-5
0.347
BEN-DND-03ad4429-3
0.347
JAN-GHE-bf40f168-4
0.339
MAK-UNK-af83ef51-23
0.333
BEN-VAN-77cef4f8-11
0.331
MAK-UNK-af83ef51-32
0.328
SAD-SAT-2ceae68f-4
0.327
MAK-UNK-6435e6c2-6
0.326
JAG-SYN-9c2cd0bd-2
0.323
PEI-IMP-3d837503-2
0.323
MAK-UNK-af83ef51-26
0.322
NAU-LAT-64f4b287-1
0.321
BEN-VAN-77cef4f8-10
0.320
BEN-VAN-77cef4f8-12
0.318
SAD-SAT-bc31ec01-10
0.315
JAN-GHE-bf40f168-5
0.315
BEN-DND-76ad4ac9-12
0.314
BEN-DND-03406596-2
0.314
JAG-SYN-9c2cd0bd-13
0.313
JAG-SYN-9c2cd0bd-12
0.313
BEN-DND-03ad4429-7
0.312
MAK-UNK-10dfa458-4
0.312
SAD-SAT-b55127ae-5
0.309
SWA-SYN-d2e6fa14-4
0.302
SWA-SYN-6423ea73-4
0.302
MAK-UNK-148caf23-8
0.298
BEN-DND-76ad4ac9-2
0.296
JAN-GHE-bf40f168-6
0.294
MAK-UNK-148caf23-12
0.292
MAK-UNK-af83ef51-24
0.290
DRR-IMP-dff87f5e-9
0.290
JAG-SYN-9c2cd0bd-11
0.289
MAK-UNK-10dfa458-18
0.289
MAK-UNK-10dfa458-6
0.289
JAN-GHE-4287bd1a-1
0.287
JAG-SYN-9c2cd0bd-15
0.286
MAK-UNK-148caf23-18
0.285
MAK-UNK-148caf23-13
0.285
SAD-SAT-2ceae68f-7
0.283
MAK-UNK-148caf23-23
0.282
AAR-POS-d2a4d1df-5
0.281
MAK-UNK-148caf23-11
0.279
AAR-POS-d2a4d1df-37
0.279
MAR-TRE-6a44bbf2-7
0.279
SAD-SAT-3a925b8b-10
0.278
MAK-UNK-148caf23-10
0.278
DRR-IMP-dff87f5e-5
0.277
AAR-POS-d2a4d1df-34
0.277
MAR-TRE-6a44bbf2-8
0.277
MAK-UNK-30aad1f1-2
0.277
SAD-SAT-f2e2579e-10
0.277
MAK-UNK-148caf23-15
0.275
MAK-UNK-148caf23-17
0.275
MAK-UNK-902cc841-10
0.274
MAK-UNK-148caf23-9
0.271
AHN-SAT-02ef6d10-7
0.270
MAK-UNK-148caf23-14
0.269
SAD-SAT-f2e2579e-4
0.267
SAD-SAT-9a6c5cf3-10
0.265
DRR-IMP-dff87f5e-4
0.265
BEN-VAN-77cef4f8-8
0.264
MAK-UNK-148caf23-16
0.263
MAK-UNK-148caf23-22
0.263
BEN-DND-76ad4ac9-11
0.262
BEN-DND-03406596-9
0.262
MAK-UNK-148caf23-19
0.261
MAK-UNK-148caf23-21
0.261
AHN-SAT-02ef6d10-5
0.260
MAK-UNK-148caf23-20
0.259
MAK-UNK-30aad1f1-7
0.259
KAT-UNK-b2a0d5b1-1
0.257
MAK-UNK-902cc841-9
0.256
MAK-UNK-148caf23-7
0.255
MAR-TRE-6a44bbf2-18
0.255
BEN-DND-03406596-10
0.255
LON-WEI-8f408cad-4
0.255
AAR-POS-d2a4d1df-23
0.255
MAK-UNK-10dfa458-8
0.255
MAT-POS-2db6411e-1
0.254
MAK-UNK-30aad1f1-3
0.254
MAK-UNK-c74072e5-4
0.254
BEN-VAN-77cef4f8-7
0.254
MAK-UNK-10dfa458-29
0.252
MAK-UNK-752736de-7
0.252
BEN-DND-03ad4429-4
0.250
MAK-UNK-30aad1f1-6
0.250
PEI-IMP-ca0b2813-3
0.250
BEN-VAN-77cef4f8-9
0.250
MAK-UNK-30aad1f1-17
0.250
JAN-GHE-6413aaf8-7
0.248