Molecular Properties | |
SMILES: | COc1ccc(-c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)cc1 |
MW: | 374.462 |
Fraction sp3: | 0.32 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 66.92 |
cLogP: | 2.215 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Source | |
Mcule: | MCULE-5767362607 |
Mcule Ultimate: | SPYVKTINFLDOFB-UHFFFAOYSA-N |
Order Status | |
Ordered: | 2020-04-29 |
Synthesis Location: | mcule |
Shipped: | 2020-07-08 |
Hetero_hetero
AAR-POS-d2a4d1df-34
ANT-OPE-7824651a-2
0.717
MAK-UNK-6435e6c2-5
0.540
PEI-IMP-ca0b2813-3
0.459
MAK-UNK-4c6b313a-1
0.431
MAK-UNK-6435e6c2-11
0.431
MAK-UNK-6435e6c2-10
0.431
ALE-MCD-a1893bfb-1
0.424
DAN-MCD-5c762fbe-1
0.423
MAK-UNK-7c9d1431-17
0.417
MAT-POS-b5746674-56
0.408
MAK-UNK-6435e6c2-6
0.397
KEN-MCD-6084b33e-1
0.395
MAK-UNK-7c9d1431-11
0.395
MAR-TRE-6a44bbf2-65
0.395
TAT-ENA-80bfd3e5-43
0.395
LON-WEI-8f408cad-4
0.384
AAR-POS-d2a4d1df-23
0.384
BEN-DND-03ad4429-3
0.384
DAN-MCD-50ec7d1f-1
0.384
MAR-TRE-6a44bbf2-18
0.384
BEN-DND-03406596-10
0.384
MAK-UNK-10dfa458-5
0.384
MAK-UNK-10dfa458-29
0.378
MAK-UNK-6435e6c2-1
0.377
MAK-UNK-902cc841-7
0.375
DRR-IMP-dff87f5e-8
0.373
NIM-UNI-05f93fcc-15
0.369
MAK-UNK-7c9d1431-4
0.367
TAT-ENA-80bfd3e5-25
0.367
MAK-UNK-902cc841-8
0.367
PEI-IMP-668afc53-1
0.365
MAR-TRE-6a44bbf2-45
0.362
MAK-UNK-7c9d1431-30
0.362
MAK-UNK-7c9d1431-19
0.359
IND-SYN-6c8299e8-2
0.350
MAT-POS-590ac91e-65
0.347
PEI-IMP-668afc53-2
0.345
MAK-UNK-23561bf6-1
0.343
MAR-TRE-6a44bbf2-32
0.338
ABB-MCD-f8003a30-1
0.338
MAK-UNK-7c9d1431-3
0.333
BEN-DND-76ad4ac9-14
0.333
BEN-DND-03406596-3
0.333
DRR-IMP-dff87f5e-2
0.333
SAD-SAT-2ceae68f-1
0.330
BEN-DND-03ad4429-4
0.329
IND-SYN-6c8299e8-7
0.329
SAD-SAT-bc31ec01-9
0.329
MAK-UNK-7c9d1431-8
0.325
MAR-TRE-6a44bbf2-26
0.325
ALE-MCD-4ac17b19-1
0.322
MAK-UNK-7c9d1431-10
0.321
JON-UNI-bb9dc649-11
0.321
MAR-TRE-6a44bbf2-68
0.320
MAR-LAB-efb042c5-5
0.320
AAR-POS-d2a4d1df-27
0.320
DRA-CSI-3ab97369-1
0.317
JAY-UNK-11f5bdbd-1
0.316
WIL-LEE-23e8b574-1
0.315
PEI-IMP-3d837503-2
0.315
MAK-UNK-7c9d1431-22
0.312
PEI-IMP-3d837503-4
0.311
MAT-POS-b5746674-55
0.311
MAK-UNK-7c9d1431-9
0.311
MAR-TRE-6a44bbf2-21
0.311
LON-WEI-b8d98729-4
0.310
JAN-GHE-1d98ec1c-7
0.310
SIM-SYN-3099a863-2
0.307
MAK-UNK-10dfa458-18
0.307
DRA-CSI-7ec17797-19
0.305
MAK-UNK-10dfa458-46
0.303
MAT-POS-ee51dedd-2
0.303
MAR-TRE-6a44bbf2-78
0.299
MAK-UNK-7c9d1431-13
0.299
BEN-DND-76ad4ac9-6
0.295
MAR-TRE-fd17a9b8-56
0.295
PEI-IMP-ca0b2813-1
0.291
MAK-UNK-c74072e5-7
0.291
BEN-DND-362d364a-5
0.290
KEN-MCD-4729dc98-1
0.290
JON-UNI-bb9dc649-16
0.289
BAP-BUY-55f8bcae-1
0.289
BEN-DND-03ad4429-1
0.288
SEL-UNI-c5c112eb-2
0.287
JOH-UNK-14e6adc5-7
0.286
KAY-MCD-d0fe5261-1
0.286
MAR-TRE-6a44bbf2-58
0.286
DRR-IMP-dff87f5e-1
0.286
SAD-SAT-2fd372d1-9
0.286
MAT-POS-590ac91e-69
0.286
MAK-UNK-009ebe36-2
0.283
MAK-UNK-7c9d1431-7
0.282
MAR-TRE-6a44bbf2-49
0.282
MAK-UNK-7c9d1431-5
0.282
MAR-TRE-6a44bbf2-31
0.282
SAD-SAT-b55127ae-5
0.282
DRA-CSI-3ab97369-3
0.282
AHN-SAT-de2502ba-6
0.280
MAR-TRE-6a44bbf2-43
0.280
TAT-ENA-80bfd3e5-27
0.280