Molecular Properties | |
SMILES: | C=CC(=O)N1CCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1 |
MW: | 326.1 |
Fraction sp3: | 0.38 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 105.71 |
cLogP: | -0.86 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Source | |
Enamine BB: | EN300-6669955 |
Enamine SCR: | Z2285377315 |
Enamine REAL: | Z2285377315 |
Mcule: | MCULE-9763005226 |
Hetero_hetero
PEI-IMP-3d837503-2
0.500
SAD-SAT-b55127ae-5
0.492
BEN-DND-03ad4429-3
0.484
MAK-UNK-10dfa458-5
0.484
MAK-UNK-10dfa458-18
0.484
SAD-SAT-3a925b8b-10
0.468
MAK-UNK-10dfa458-6
0.438
JAN-GHE-4287bd1a-1
0.426
MAK-UNK-10dfa458-4
0.409
BEN-DND-03ad4429-7
0.409
JAG-SYN-9c2cd0bd-1
0.409
AHN-SAT-02ef6d10-7
0.404
MAR-TRE-6a44bbf2-63
0.364
ALE-MCD-a1893bfb-1
0.354
MAR-TRE-c317dd82-2
0.333
MAR-TRE-67513f76-51
0.329
SAD-SAT-b55127ae-3
0.329
MAR-TRE-c317dd82-78
0.322
DAN-MCD-5c762fbe-1
0.319
AHN-SAT-02ef6d10-3
0.319
SAD-SAT-bc31ec01-9
0.319
MAK-UNK-6435e6c2-5
0.319
MAK-UNK-4c6b313a-1
0.318
MAK-UNK-6435e6c2-10
0.318
MAK-UNK-6435e6c2-11
0.318
MAK-UNK-7c9d1431-19
0.316
MAR-TRE-c317dd82-22
0.315
NAU-LAT-f723e322-6
0.313
SAD-SAT-f0a2747f-9
0.307
SAD-SAT-2ceae68f-1
0.306
BEN-DND-03ad4429-4
0.305
SAD-SAT-2ceae68f-7
0.302
PEI-IMP-3d837503-4
0.300
MAK-UNK-7c9d1431-11
0.299
MAR-TRE-6a44bbf2-65
0.299
KEN-MCD-6084b33e-1
0.299
TAT-ENA-80bfd3e5-43
0.299
MAR-TRE-6a44bbf2-26
0.297
MAK-UNK-7c9d1431-8
0.297
SAD-SAT-bc31ec01-5
0.296
MED-COV-4280ac29-14
0.296
ANT-OPE-7824651a-2
0.293
ABB-MCD-f8003a30-1
0.293
MAK-UNK-7c9d1431-10
0.293
SAD-SAT-bc31ec01-4
0.293
MAR-TRE-6a44bbf2-32
0.293
ZAC-MCD-2bc172dc-1
0.293
AAR-POS-d2a4d1df-27
0.292
MAR-TRE-6a44bbf2-68
0.292
DRR-IMP-dff87f5e-7
0.292
SAD-SAT-3a925b8b-2
0.292
MAR-LAB-efb042c5-5
0.292
MAK-UNK-7c9d1431-13
0.288
DAV-IMP-59dd6621-23
0.288
MAR-TRE-6a44bbf2-78
0.288
JAY-UNK-11f5bdbd-1
0.288
SAD-SAT-2ceae68f-4
0.284
BEN-DND-03406596-10
0.284
DAN-MCD-50ec7d1f-1
0.284
MAR-TRE-6a44bbf2-18
0.284
AAR-POS-d2a4d1df-23
0.284
LON-WEI-8f408cad-4
0.284
SAD-SAT-6b5a89f0-9
0.283
MAK-UNK-7c9d1431-9
0.282
MAR-TRE-6a44bbf2-21
0.282
MAK-UNK-10dfa458-29
0.280
DRR-IMP-dff87f5e-9
0.280
MAK-UNK-7c9d1431-17
0.280
PEI-IMP-ca0b2813-1
0.280
MAK-UNK-6ca90168-16
0.279
AAR-POS-d2a4d1df-44
0.278
DRR-IMP-dff87f5e-3
0.278
MAK-UNK-10dfa458-9
0.276
MAK-UNK-10dfa458-10
0.276
DRR-IMP-dff87f5e-8
0.276
SAD-SAT-b55127ae-1
0.276
SAD-SAT-1f400d17-1
0.275
MAK-UNK-23561bf6-1
0.275
PEI-IMP-ca0b2813-3
0.275
MAK-UNK-7c9d1431-4
0.275
TAT-ENA-80bfd3e5-25
0.275
SAD-SAT-3a925b8b-9
0.274
MAK-UNK-10dfa458-46
0.274
PEI-IMP-ca0b2813-2
0.274
KAY-MCD-d0fe5261-1
0.274
DRR-IMP-dff87f5e-1
0.274
MAT-POS-ee51dedd-2
0.274
MAR-TRE-6a44bbf2-58
0.274
SAD-SAT-1f400d17-4
0.273
JAN-GHE-bf40f168-2
0.273
SAD-SAT-f0a2747f-1
0.272
SAD-SAT-2ceae68f-6
0.272
SAD-SAT-1f400d17-6
0.271
JOH-UNI-27ac80fd-26
0.271
MAK-UNK-6ca90168-12
0.271
MAK-UNK-6ca90168-21
0.271
SAD-SAT-b55127ae-10
0.270
MAK-UNK-7c9d1431-22
0.269
ANT-OPE-7824651a-1
0.268
ANT-OPE-d972fbad-1
0.268