Molecular Properties | |
SMILES: | C=CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 |
MW: | 280.09 |
Fraction sp3: | 0.31 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 66.48 |
cLogP: | 1.6 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Source | |
Enamine BB: | EN300-121102 |
Enamine SCR: | Z62467778 |
Enamine REAL: | Z62467778 |
Mcule: | MCULE-4630540255 |
MolPort: | MolPort-011-211-121 |
Hetero_hetero
AAR-POS-d2a4d1df-41
MAR-TRE-6a44bbf2-89
0.611
MAT-POS-b5746674-55
0.466
CLI-UNI-032f7715-4
0.463
MAT-POS-b5746674-56
0.443
SAD-SAT-2fd372d1-6
0.426
SAD-SAT-135344c3-2
0.405
AHN-SAT-de2502ba-19
0.394
MAR-TRE-fd17a9b8-74
0.389
MAR-TRE-a9136c7b-64
0.378
SAD-SAT-b55127ae-5
0.375
ALE-MCD-4ac17b19-1
0.373
AHN-SAT-de2502ba-6
0.368
MAR-TRE-6a44bbf2-43
0.368
AHN-SAT-de2502ba-17
0.362
AHN-SAT-de2502ba-18
0.362
PEI-IMP-3d837503-2
0.355
SAD-SAT-135344c3-5
0.354
MAK-UNK-69bf97dd-9
0.346
DAV-IMP-59dd6621-6
0.344
AHN-SAT-de2502ba-5
0.338
AHN-SAT-de2502ba-10
0.338
MAK-UNK-10dfa458-3
0.333
MAK-UNK-7c9d1431-26
0.320
MAR-TRE-6a44bbf2-22
0.320
SAD-SAT-2fd372d1-3
0.318
SAD-SAT-f0a2747f-5
0.315
DAV-IMP-59dd6621-1
0.312
MAR-TRE-3e4e6814-34
0.312
KEI-TRE-d5e2018a-32
0.312
PEI-IMP-3d837503-3
0.311
MAK-UNK-ca11b4f7-2
0.310
SAD-SAT-135344c3-4
0.309
MAR-TRE-04c86cea-17
0.309
SAD-SAT-3a925b8b-10
0.308
GIA-UNK-5ec6c2b8-4
0.306
SAD-SAT-2ceae68f-6
0.306
BEN-DND-03406596-8
0.306
JOO-IND-6372a4f3-1
0.306
MAR-TRE-04c86cea-35
0.305
MAR-TRE-f6f5f473-23
0.305
GIA-UNK-595fac82-4
0.304
AAR-POS-d2a4d1df-44
0.303
MAK-UNK-10dfa458-18
0.303
DRR-IMP-dff87f5e-3
0.303
TAT-ENA-80bfd3e5-48
0.300
DRR-IMP-dff87f5e-7
0.299
AAR-POS-d2a4d1df-27
0.299
MAR-TRE-6a44bbf2-68
0.299
MAR-LAB-efb042c5-5
0.299
KAY-MCD-d0fe5261-1
0.299
MAR-TRE-6a44bbf2-58
0.299
DRR-IMP-dff87f5e-1
0.299
SAD-SAT-2fd372d1-9
0.297
MAK-UNK-7c9d1431-13
0.294
MAR-TRE-6a44bbf2-78
0.294
MAK-UNK-009ebe36-3
0.293
SAD-SAT-135344c3-3
0.293
KEI-TRE-d5e2018a-38
0.291
MAK-UNK-009ebe36-7
0.291
MAR-TRE-3e4e6814-80
0.290
MAT-POS-b5746674-57
0.290
BEN-DND-03ad4429-3
0.290
MAK-UNK-10dfa458-5
0.290
SAD-SAT-9a6c5cf3-2
0.289
PEI-IMP-3d837503-4
0.288
MAR-TRE-d0525fbf-45
0.287
MAK-UNK-7c9d1431-6
0.286
MAK-UNK-7c9d1431-17
0.286
AHN-SAT-de2502ba-11
0.286
DRR-IMP-dff87f5e-6
0.286
DRR-IMP-dff87f5e-9
0.286
MAK-UNK-c74072e5-8
0.286
MAR-TRE-04c86cea-46
0.284
BAP-BUY-55f8bcae-1
0.284
JAR-KUA-41bd5a3d-19
0.284
MAK-UNK-10dfa458-6
0.284
PEI-IMP-ca0b2813-2
0.279
SAD-SAT-2fd372d1-5
0.279
SAD-SAT-f2e2579e-5
0.278
MAR-TRE-d0525fbf-90
0.276
SAD-SAT-2ceae68f-9
0.276
MAR-TRE-2fd8122f-13
0.275
MAK-UNK-7c9d1431-22
0.274
GIA-UNK-eaadd1d4-3
0.274
DRA-CSI-7ec17797-4
0.272
SAD-SAT-9a6c5cf3-5
0.272
SAD-SAT-9a6c5cf3-9
0.271
MAR-TRE-4b834d9a-63
0.271
MAR-TRE-6a44bbf2-21
0.269
MAK-UNK-7c9d1431-9
0.269
SAD-SAT-f2e2579e-10
0.268
MAR-TRE-fd17a9b8-62
0.268
PEI-IMP-3d837503-1
0.267
AHN-SAT-de2502ba-16
0.267
MAK-UNK-009ebe36-5
0.264
MAK-UNK-69bf97dd-1
0.264
ABB-MCD-f8003a30-1
0.264
JAN-GHE-4287bd1a-1
0.264
MAR-TRE-6a44bbf2-32
0.264
MAR-TRE-2fd8122f-22
0.262