Molecular Properties | |
SMILES: | Cc1cc(/C=C/C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)no1 |
MW: | 395.868 |
Fraction sp3: | 0.29 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 83.72 |
cLogP: | 2.18272 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Activated haloaromatics
Hetero_hetero
vinyl michael acceptor1
AAR-POS-d2a4d1df-44
0.493
DRR-IMP-dff87f5e-3
0.493
SAD-SAT-b55127ae-5
0.400
SIM-SYN-3099a863-2
0.395
MAR-TRE-6a44bbf2-68
0.387
AAR-POS-d2a4d1df-27
0.387
MAR-LAB-efb042c5-5
0.387
MAK-UNK-7c9d1431-22
0.375
BEN-DND-03ad4429-4
0.372
MAK-UNK-7c9d1431-17
0.372
ABB-MCD-f8003a30-1
0.367
MAR-TRE-6a44bbf2-32
0.367
PEI-IMP-3d837503-2
0.365
JAR-IMP-ed466bb3-4
0.365
MAR-TRE-6a44bbf2-78
0.364
MAK-UNK-7c9d1431-13
0.364
MAT-POS-590ac91e-67
0.358
MAK-UNK-7c9d1431-6
0.354
KAY-MCD-d0fe5261-1
0.351
DRR-IMP-dff87f5e-1
0.351
DRR-IMP-dff87f5e-7
0.351
MAR-TRE-6a44bbf2-58
0.351
MAK-UNK-7c9d1431-10
0.350
BAP-BUY-55f8bcae-1
0.349
BEN-DND-03ad4429-8
0.349
JAY-UNK-11f5bdbd-1
0.346
NAU-LAT-64f4b287-1
0.341
MAK-UNK-c74072e5-8
0.338
DRR-IMP-dff87f5e-6
0.338
DRR-IMP-dff87f5e-9
0.338
MAK-UNK-7c9d1431-8
0.338
MAR-TRE-6a44bbf2-26
0.338
SIM-SYN-3099a863-1
0.337
PEI-IMP-ca0b2813-2
0.333
SAD-SAT-3a925b8b-2
0.333
MAT-POS-590ac91e-66
0.330
SAD-SAT-2fd372d1-9
0.329
MAK-UNK-10dfa458-5
0.325
BEN-DND-03ad4429-3
0.325
MAR-TRE-6a44bbf2-21
0.325
MAT-POS-b5746674-55
0.325
MAK-UNK-7c9d1431-9
0.325
SAD-SAT-bc31ec01-5
0.321
MAK-UNK-10dfa458-18
0.321
DRR-IMP-dff87f5e-8
0.317
AHN-SAT-02ef6d10-5
0.313
MAT-POS-b5746674-56
0.312
MAR-TRE-6a44bbf2-24
0.309
PEI-IMP-3d837503-4
0.308
SAD-SAT-3a925b8b-10
0.308
MAK-UNK-7c9d1431-11
0.306
MAR-TRE-6a44bbf2-65
0.306
MAK-UNK-7c9d1431-19
0.306
BEN-DND-03406596-8
0.306
TAT-ENA-80bfd3e5-43
0.306
SIM-SYN-3099a863-3
0.305
ALE-MCD-4ac17b19-1
0.304
JAN-GHE-4287bd1a-1
0.301
SAD-SAT-bc31ec01-4
0.301
JAG-SYN-9c2cd0bd-1
0.300
MAK-UNK-10dfa458-4
0.300
BEN-DND-03ad4429-7
0.300
SAL-INS-1ea6d4ee-1
0.299
SEL-UNI-c5c112eb-2
0.299
MAK-UNK-7c9d1431-4
0.299
TAT-ENA-80bfd3e5-25
0.299
NAU-LAT-64f4b287-2
0.298
DAV-UNK-07f953a2-3
0.296
MAT-POS-590ac91e-58
0.296
MAT-POS-b5746674-57
0.293
BEN-DND-03406596-10
0.293
MAR-TRE-6a44bbf2-18
0.293
AAR-POS-d2a4d1df-23
0.293
LON-WEI-8f408cad-4
0.293
MAR-TRE-6a44bbf2-38
0.292
MAK-UNK-7c9d1431-1
0.292
MAK-UNK-6435e6c2-5
0.291
SAD-SAT-9a6c5cf3-5
0.290
MAK-UNK-6435e6c2-11
0.289
MAK-UNK-4c6b313a-1
0.289
MAK-UNK-6435e6c2-10
0.289
PEI-IMP-ca0b2813-1
0.289
MAK-UNK-10dfa458-6
0.287
ALE-MCD-a1893bfb-1
0.286
MAR-TRE-6a44bbf2-36
0.286
MAK-UNK-7c9d1431-2
0.286
MAR-LAB-ff9967db-22
0.284
SAD-SAT-2ceae68f-1
0.284
DRR-IMP-dff87f5e-2
0.284
MAK-UNK-7c9d1431-3
0.284
PEI-IMP-ca0b2813-3
0.284
MAT-POS-ee51dedd-2
0.284
SAD-SAT-f2e2579e-5
0.283
MAR-TRE-6a44bbf2-13
0.282
AAR-POS-0daf6b7e-3
0.282
RHE-UNK-eb059eb9-1
0.282
WAR-XCH-79d12f6e-6
0.282
MAR-TRE-04c86cea-17
0.281
MAR-TRE-6a44bbf2-49
0.281
MAR-TRE-6a44bbf2-31
0.281