Molecular Properties | |
SMILES: | CC(=O)N1CCN(S(=O)(=O)c2cccc(-c3ccccc3)c2)CC1 |
MW: | 344.436 |
Fraction sp3: | 0.28 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 57.69 |
cLogP: | 2.2064 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Source | |
Enamine REAL: | Z2068569582 |
Enamine Extended REAL: | s_40____79524____10159052 |
Mcule Ultimate: | IDPOIQMCIZABOF-UHFFFAOYSA-N |
Hetero_hetero
AAR-POS-d2a4d1df-34
ANT-OPE-7824651a-1
0.717
MAK-UNK-6435e6c2-5
0.607
MAK-UNK-6435e6c2-10
0.483
MAK-UNK-4c6b313a-1
0.483
MAK-UNK-6435e6c2-11
0.483
ALE-MCD-a1893bfb-1
0.475
DAN-MCD-5c762fbe-1
0.469
MAK-UNK-6435e6c2-6
0.443
KEN-MCD-6084b33e-1
0.435
MAK-UNK-7c9d1431-11
0.435
MAR-TRE-6a44bbf2-65
0.435
TAT-ENA-80bfd3e5-43
0.435
BEN-DND-03ad4429-3
0.424
BEN-DND-03406596-10
0.424
LON-WEI-8f408cad-4
0.424
AAR-POS-d2a4d1df-23
0.424
DAN-MCD-50ec7d1f-1
0.424
MAR-TRE-6a44bbf2-18
0.424
MAK-UNK-10dfa458-5
0.424
MAK-UNK-10dfa458-29
0.418
BEN-DND-03ad4429-4
0.413
WIL-LEE-23e8b574-1
0.413
PEI-IMP-3d837503-2
0.413
DRR-IMP-dff87f5e-8
0.412
MAK-UNK-902cc841-7
0.407
MAR-TRE-6a44bbf2-21
0.406
MAK-UNK-7c9d1431-9
0.406
PEI-IMP-3d837503-4
0.406
TAT-ENA-80bfd3e5-25
0.403
IND-SYN-6c8299e8-2
0.403
PEI-IMP-ca0b2813-3
0.403
MAK-UNK-7c9d1431-4
0.403
MAK-UNK-902cc841-8
0.398
MAK-UNK-6435e6c2-1
0.397
MAK-UNK-23561bf6-1
0.381
ABB-MCD-f8003a30-1
0.371
MAR-TRE-6a44bbf2-32
0.371
BEN-DND-03406596-3
0.365
BEN-DND-76ad4ac9-14
0.365
SAD-SAT-bc31ec01-9
0.364
IND-SYN-6c8299e8-7
0.359
SAD-SAT-2ceae68f-1
0.358
MAK-UNK-7c9d1431-8
0.357
MAR-TRE-6a44bbf2-26
0.357
MAK-UNK-7c9d1431-19
0.356
KEN-MCD-4729dc98-1
0.356
MAK-UNK-7c9d1431-10
0.352
ALE-MCD-4ac17b19-1
0.350
JAY-UNK-11f5bdbd-1
0.348
MAK-UNK-7c9d1431-3
0.347
DRR-IMP-dff87f5e-2
0.347
MAK-UNK-10dfa458-18
0.338
NIM-UNI-05f93fcc-2
0.338
BEN-DND-362d364a-1
0.333
MAT-POS-590ac91e-57
0.333
MAK-UNK-10dfa458-46
0.333
AAR-POS-d2a4d1df-27
0.333
MAR-LAB-efb042c5-5
0.333
MAT-POS-ee51dedd-2
0.333
PEI-IMP-3d837503-1
0.333
MAR-TRE-6a44bbf2-68
0.333
SCO-CSI-071a6f1c-1
0.330
MAK-UNK-7c9d1431-13
0.329
MAR-TRE-6a44bbf2-78
0.329
PEI-IMP-3d837503-3
0.328
BEN-DND-362d364a-5
0.326
BEN-DND-76ad4ac9-6
0.324
MAT-POS-b5746674-55
0.324
GIA-UNK-5ec6c2b8-4
0.323
BEN-DND-7e92b6ca-7
0.321
LON-WEI-b8d98729-4
0.321
JAN-GHE-1d98ec1c-7
0.321
ZAC-MCD-b48cf8fd-1
0.320
GIA-UNK-eaadd1d4-2
0.319
PEI-IMP-ca0b2813-1
0.319
MAR-TRE-fd17a9b8-56
0.318
MAT-POS-590ac91e-56
0.318
BEN-DND-03ad4429-1
0.318
GIA-UNK-7337c2f3-11
0.316
KAY-MCD-59dc2eb3-1
0.316
ZAC-MCD-2bc172dc-1
0.315
PEI-IMP-3d837503-5
0.314
KAY-MCD-d0fe5261-1
0.314
MAR-TRE-6a44bbf2-58
0.314
DRR-IMP-dff87f5e-1
0.314
SAD-SAT-b55127ae-5
0.310
MAR-TRE-6a44bbf2-49
0.308
MAT-POS-590ac91e-69
0.308
MAK-UNK-7c9d1431-5
0.308
MAK-UNK-7c9d1431-7
0.308
MAR-TRE-6a44bbf2-31
0.308
MAT-POS-590ac91e-58
0.307
MAR-TRE-6a44bbf2-43
0.307
AHN-SAT-de2502ba-6
0.307
MAK-UNK-009ebe36-2
0.306
MAR-TRE-6a44bbf2-38
0.304
MAK-UNK-7c9d1431-1
0.304
TAT-ENA-80bfd3e5-27
0.302
GIA-UNK-595fac82-4
0.301
MAK-UNK-7c9d1431-6
0.301