Molecular Properties | |
SMILES: | C=CC(=O)N1CCN(S(=O)(=O)C2=CCC=C2)CC1 |
MW: | 268.09 |
Fraction sp3: | 0.42 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 57.69 |
cLogP: | 0.49 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Activated double bonds (3)
Filter88_ene_sulfone
Hetero_hetero
AAR-POS-d2a4d1df-27
SAD-SAT-3a925b8b-9
0.623
MAK-UNK-10dfa458-6
0.574
PEI-IMP-3d837503-2
0.509
SAD-SAT-b55127ae-5
0.500
MAK-UNK-10dfa458-18
0.491
AHN-SAT-02ef6d10-5
0.468
BEN-DND-03ad4429-3
0.467
MAK-UNK-10dfa458-5
0.467
AHN-SAT-02ef6d10-7
0.460
JAG-SYN-9c2cd0bd-1
0.458
MAK-UNK-10dfa458-4
0.458
BEN-DND-03ad4429-7
0.458
JAN-GHE-4287bd1a-1
0.429
MAK-UNK-23561bf6-1
0.350
MAK-UNK-d4768348-5
0.338
SAD-SAT-2ceae68f-7
0.329
SAD-SAT-6b5a89f0-9
0.326
SAD-SAT-2ceae68f-4
0.325
SAD-SAT-b55127ae-3
0.325
MAK-UNK-d4768348-1
0.323
MAK-UNK-10dfa458-30
0.323
MAK-UNK-6ca90168-12
0.323
SAD-SAT-1f400d17-6
0.323
MAK-UNK-d4768348-8
0.318
MAK-UNK-d4768348-2
0.318
SAD-SAT-2ceae68f-1
0.316
MAK-UNK-6ca90168-16
0.315
MAK-UNK-d4768348-7
0.313
SAD-SAT-1f400d17-2
0.308
MED-COV-4280ac29-14
0.308
AAR-POS-d2a4d1df-44
0.308
NAU-LAT-f723e322-6
0.308
DRR-IMP-dff87f5e-3
0.308
SAD-SAT-1f400d17-1
0.306
MAK-UNK-10dfa458-9
0.304
DRR-IMP-dff87f5e-7
0.303
JOH-UNI-27ac80fd-26
0.302
MAK-UNK-6ca90168-21
0.302
SAD-SAT-f0a2747f-9
0.300
SAD-SAT-3a925b8b-6
0.299
TOB-UNK-c2aba166-2
0.298
ANT-OPE-d972fbad-1
0.297
SAD-SAT-581007d4-8
0.294
MAK-UNK-6ca90168-13
0.294
JAN-GHE-bf40f168-2
0.293
AHN-SAT-02ef6d10-3
0.292
SAD-SAT-bc31ec01-9
0.292
MAK-UNK-10dfa458-1
0.292
MAK-UNK-d4768348-9
0.292
MAK-UNK-4c6b313a-1
0.290
MAK-UNK-6435e6c2-11
0.290
MAK-UNK-6435e6c2-10
0.290
DRR-IMP-dff87f5e-9
0.290
SAD-SAT-bc31ec01-5
0.288
MAK-UNK-212f693e-24
0.288
MAK-UNK-10dfa458-2
0.288
SAD-SAT-b55127ae-1
0.286
ALE-MCD-a1893bfb-1
0.286
SAD-SAT-bc31ec01-4
0.286
AAR-POS-d2a4d1df-27
0.284
DRR-IMP-dff87f5e-1
0.284
MAK-UNK-d4768348-4
0.284
MAR-TRE-6a44bbf2-58
0.284
KAY-MCD-d0fe5261-1
0.284
MAR-LAB-efb042c5-5
0.284
AAR-POS-0daf6b7e-15
0.284
AHN-SAT-02ef6d10-6
0.284
MAR-TRE-6a44bbf2-68
0.284
SAD-SAT-2ceae68f-5
0.282
AHN-SAT-b1e6fbb2-1
0.282
BEN-DND-03ad4429-4
0.282
DAV-IMP-59dd6621-23
0.279
MAR-TRE-6a44bbf2-78
0.279
MAK-UNK-7c9d1431-13
0.279
SAD-SAT-b55127ae-4
0.279
SAD-SAT-b55127ae-10
0.279
JAY-UNK-11f5bdbd-1
0.279
JAN-GHE-bf40f168-1
0.278
MAK-UNK-7c9d1431-22
0.278
SAD-SAT-bc31ec01-8
0.276
DAN-MCD-5c762fbe-1
0.275
AHN-SAT-02ef6d10-10
0.275
BEN-DND-03ad4429-8
0.273
PEI-IMP-3d837503-4
0.273
MAK-UNK-6435e6c2-5
0.273
MAR-TRE-6a44bbf2-21
0.273
MAK-UNK-7c9d1431-9
0.273
DRR-IMP-dff87f5e-4
0.273
MAK-UNK-7c9d1431-17
0.271
MAK-UNK-7c9d1431-6
0.271
DRR-IMP-dff87f5e-6
0.271
MAK-UNK-c74072e5-8
0.271
MAT-POS-4e253971-2
0.269
JOH-UNI-27ac80fd-34
0.268
MAK-UNK-7c9d1431-10
0.268
DRR-IMP-dff87f5e-8
0.268
MAK-UNK-10dfa458-10
0.268
MED-COV-4280ac29-32
0.267
SAD-SAT-f0a2747f-6
0.267
NAU-LAT-64f4b287-1
0.266