Molecular Properties | |
SMILES: | C=CC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 |
MW: | 336.15 |
Fraction sp3: | 0.47 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 57.69 |
cLogP: | 2.0 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Source | |
Enamine BB: | EN300-26582241 |
Enamine SCR: | Z2517205891 |
Enamine REAL: | Z2517205891 |
Mcule: | MCULE-5393353053 |
Hetero_hetero
AAR-POS-d2a4d1df-41
PEI-IMP-3d837503-2
0.623
MAK-UNK-10dfa458-18
0.544
MAK-UNK-10dfa458-5
0.517
BEN-DND-03ad4429-3
0.517
SAD-SAT-3a925b8b-10
0.500
AHN-SAT-02ef6d10-5
0.492
MAK-UNK-10dfa458-6
0.492
JAN-GHE-4287bd1a-1
0.476
DRR-IMP-dff87f5e-6
0.460
MAK-UNK-10dfa458-4
0.459
JAG-SYN-9c2cd0bd-1
0.459
BEN-DND-03ad4429-7
0.459
AHN-SAT-02ef6d10-7
0.434
DRR-IMP-dff87f5e-7
0.413
MAR-LAB-efb042c5-5
0.413
MAR-TRE-6a44bbf2-68
0.413
AAR-POS-d2a4d1df-27
0.413
MAR-TRE-6a44bbf2-78
0.406
MAK-UNK-7c9d1431-13
0.406
NAU-LAT-f723e322-6
0.400
DRR-IMP-dff87f5e-3
0.397
AAR-POS-d2a4d1df-44
0.397
DRR-IMP-dff87f5e-9
0.394
MAK-UNK-7c9d1431-17
0.394
MAR-TRE-6a44bbf2-58
0.391
KAY-MCD-d0fe5261-1
0.391
DRR-IMP-dff87f5e-1
0.391
MAT-POS-b5746674-55
0.381
MAK-UNK-7c9d1431-22
0.377
SAD-SAT-1f400d17-2
0.375
MAK-UNK-7c9d1431-6
0.373
MAK-UNK-c74072e5-8
0.373
PEI-IMP-3d837503-3
0.367
BAP-BUY-55f8bcae-1
0.366
MAT-POS-b5746674-56
0.364
SAD-SAT-2fd372d1-9
0.361
MAK-UNK-6435e6c2-11
0.361
MAK-UNK-4c6b313a-1
0.361
MAK-UNK-6435e6c2-10
0.361
PEI-IMP-3d837503-4
0.359
MAK-UNK-7c9d1431-9
0.359
AHN-SAT-02ef6d10-3
0.359
MAR-TRE-6a44bbf2-21
0.359
SAD-SAT-bc31ec01-9
0.359
SAD-SAT-2ceae68f-7
0.350
CLI-UNI-032f7715-4
0.350
PEI-IMP-ca0b2813-2
0.348
SAD-SAT-b55127ae-3
0.346
MAT-POS-b5746674-57
0.344
SAD-SAT-f0a2747f-9
0.343
MAK-UNK-6435e6c2-5
0.338
DAN-MCD-5c762fbe-1
0.338
BEN-DND-03406596-8
0.333
MAK-UNK-7c9d1431-8
0.333
MAR-TRE-6a44bbf2-26
0.333
MAK-UNK-7c9d1431-19
0.333
JAR-KUA-41bd5a3d-19
0.333
ALE-MCD-a1893bfb-1
0.333
SAD-SAT-2ceae68f-4
0.329
SIM-SYN-3099a863-2
0.329
ALE-MCD-4ac17b19-1
0.329
ABB-MCD-f8003a30-1
0.329
MAR-TRE-6a44bbf2-32
0.329
SAD-SAT-3a925b8b-2
0.328
JAN-GHE-bf40f168-2
0.326
SAD-SAT-f2e2579e-10
0.325
JAY-UNK-11f5bdbd-1
0.324
SAD-SAT-2ceae68f-1
0.321
BEN-DND-03ad4429-4
0.321
SAD-SAT-f2e2579e-5
0.321
SAD-SAT-29425be4-6
0.316
MAR-TRE-6a44bbf2-65
0.315
TAT-ENA-80bfd3e5-43
0.315
MAK-UNK-7c9d1431-11
0.315
KEN-MCD-6084b33e-1
0.315
SIM-SYN-3099a863-3
0.313
SAD-SAT-b55127ae-2
0.313
SAD-SAT-1f400d17-1
0.312
MAK-UNK-23561bf6-1
0.312
SAD-SAT-9a6c5cf3-5
0.312
MAK-UNK-10dfa458-10
0.310
MAK-UNK-10dfa458-9
0.310
MAK-UNK-7c9d1431-10
0.310
ANT-OPE-7824651a-2
0.310
SAD-SAT-9a6c5cf3-9
0.310
JAN-GHE-bf40f168-1
0.309
MAK-UNK-10dfa458-46
0.309
MAT-POS-ee51dedd-2
0.309
JOH-UNI-27ac80fd-26
0.308
MAK-UNK-6ca90168-21
0.308
SAD-SAT-1f400d17-6
0.308
MAR-TRE-fd17a9b8-74
0.308
MAK-UNK-6ca90168-12
0.308
MAK-UNK-7c9d1431-4
0.307
IND-SYN-6c8299e8-2
0.307
TAT-ENA-80bfd3e5-25
0.307
SAD-SAT-6b5a89f0-9
0.306
DAV-IMP-59dd6621-23
0.304
SAD-SAT-b55127ae-10
0.304
JAR-IMP-ed466bb3-4
0.303