Molecular Properties | |
SMILES: | O=C(CCl)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21 |
MW: | 342.08 |
Fraction sp3: | 0.53 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 57.69 |
cLogP: | 1.99 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Source | |
Enamine BB: | EN300-23812 |
Enamine SCR: | Z165156684 |
Enamine REAL: | Z235362249 |
Mcule: | MCULE-8096543122 |
MolPort: | MolPort-005-310-871 |
Hetero_hetero
MAK-UNK-7c9d1431-26
1.000
AHN-SAT-de2502ba-11
0.723
MAR-TRE-6a44bbf2-46
0.627
SAD-SAT-5b1897b2-7
0.478
MAR-TRE-6a44bbf2-33
0.478
MAR-TRE-6a44bbf2-31
0.447
MAK-UNK-7c9d1431-5
0.447
MAR-TRE-6a44bbf2-49
0.429
MAK-UNK-7c9d1431-7
0.429
AHN-SAT-de2502ba-19
0.419
MAT-POS-ee51dedd-3
0.414
AHN-SAT-de2502ba-6
0.395
MAR-TRE-6a44bbf2-43
0.395
AHN-SAT-de2502ba-17
0.390
AHN-SAT-de2502ba-18
0.390
MAR-TRE-6a44bbf2-89
0.389
AHN-SAT-de2502ba-10
0.385
SAD-SAT-9a6c5cf3-6
0.382
AHN-SAT-de2502ba-5
0.367
SAD-SAT-2ceae68f-6
0.363
MAK-UNK-69bf97dd-1
0.352
JAY-UNK-11f5bdbd-1
0.347
BEN-DND-76ad4ac9-14
0.346
BEN-DND-03406596-3
0.346
MAK-UNK-7c9d1431-8
0.338
MAR-TRE-6a44bbf2-26
0.338
MAK-UNK-7c9d1431-19
0.338
MAK-UNK-7c9d1431-10
0.333
MAR-TRE-6a44bbf2-32
0.333
SAD-SAT-2fd372d1-3
0.333
CLI-UNI-032f7715-4
0.333
ABB-MCD-f8003a30-1
0.333
TAM-UNI-c140e31a-18
0.330
IND-SYN-6c8299e8-2
0.329
MAK-UNK-69bf97dd-9
0.326
AAR-POS-d2a4d1df-23
0.325
BEN-DND-03406596-10
0.325
BEN-DND-76ad4ac9-6
0.325
LON-WEI-8f408cad-4
0.325
MAR-TRE-6a44bbf2-18
0.325
TAT-ENA-80bfd3e5-43
0.321
MAR-TRE-6a44bbf2-65
0.321
MAK-UNK-7c9d1431-11
0.321
BEN-DND-03406596-8
0.321
DRR-IMP-dff87f5e-6
0.321
SAD-SAT-1f400d17-2
0.320
AHN-SAT-de2502ba-16
0.317
DRR-IMP-dff87f5e-8
0.316
MAR-TRE-6a44bbf2-36
0.314
MAK-UNK-7c9d1431-2
0.314
MAK-UNK-7c9d1431-4
0.313
MAK-UNK-7c9d1431-3
0.313
AHN-SAT-de2502ba-9
0.313
TAT-ENA-80bfd3e5-25
0.313
DRR-IMP-dff87f5e-2
0.313
SAD-SAT-9a6c5cf3-1
0.310
JOE-NOR-ee0d220f-1
0.308
MAK-UNK-7c9d1431-9
0.307
MAR-TRE-6a44bbf2-21
0.307
MAK-UNK-7c9d1431-1
0.306
MAR-TRE-6a44bbf2-38
0.306
DRR-IMP-dff87f5e-9
0.304
DAV-IMP-59dd6621-29
0.303
DAV-IMP-59dd6621-9
0.303
DRR-IMP-dff87f5e-3
0.303
AAR-POS-d2a4d1df-44
0.303
SAD-SAT-bc31ec01-5
0.303
SAD-SAT-f2e2579e-2
0.300
DRR-IMP-dff87f5e-1
0.299
DRR-IMP-dff87f5e-7
0.299
AAR-POS-d2a4d1df-27
0.299
MAR-LAB-efb042c5-5
0.299
MAR-TRE-6a44bbf2-68
0.299
KAY-MCD-d0fe5261-1
0.299
MAR-TRE-6a44bbf2-58
0.299
SAD-SAT-3a925b8b-2
0.299
MAR-TRE-6a44bbf2-100
0.298
AHN-SAT-de2502ba-4
0.298
PEI-IMP-ca0b2813-3
0.298
MAK-UNK-7c9d1431-13
0.295
MAR-TRE-6a44bbf2-78
0.295
MAC-MCD-4707377b-1
0.294
MAK-UNK-7c9d1431-22
0.293
MAK-UNK-69bf97dd-5
0.292
MAR-TRE-3e4e6814-80
0.291
SAD-SAT-9a6c5cf3-2
0.290
DRR-IMP-dff87f5e-4
0.289
MAR-TRE-d0525fbf-45
0.288
MAK-UNK-7c9d1431-6
0.287
MAK-UNK-c74072e5-8
0.287
MAK-UNK-7c9d1431-17
0.287
SAD-SAT-2fd372d1-6
0.286
SAD-SAT-135344c3-2
0.286
DAV-IMP-59dd6621-30
0.284
SAD-SAT-bc31ec01-4
0.284
SAD-SAT-f2e2579e-7
0.283
PEI-IMP-ca0b2813-2
0.282
MAT-POS-ee51dedd-2
0.282
MAK-UNK-69bf97dd-8
0.280
IND-SYN-6c8299e8-9
0.279