Molecular Properties | |
SMILES: | CC(=O)Nc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 |
MW: | 437.11 |
Fraction sp3: | 0.32 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 103.86 |
cLogP: | 1.65 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-6303775865 |
MolPort: | MolPort-001-523-038 |
Hetero_hetero
MAT-POS-b5746674-56
0.673
MAT-POS-b5746674-57
0.580
AAR-POS-d2a4d1df-27
0.564
MAR-TRE-6a44bbf2-68
0.564
MAR-LAB-efb042c5-5
0.564
MAR-TRE-fd17a9b8-74
0.523
SAD-SAT-2fd372d1-9
0.508
ALE-MCD-4ac17b19-1
0.478
SAD-SAT-1f400d17-2
0.466
MAR-TRE-a9136c7b-64
0.464
MAR-TRE-6a44bbf2-89
0.458
SIM-SYN-3099a863-2
0.437
MAR-LAB-ff9967db-29
0.433
SAD-SAT-135344c3-5
0.432
MAK-UNK-009ebe36-3
0.419
SIM-SYN-3099a863-3
0.413
SAD-SAT-9a6c5cf3-2
0.413
MAK-UNK-6435e6c2-10
0.404
MAK-UNK-6435e6c2-11
0.404
MAK-UNK-4c6b313a-1
0.404
MAR-TRE-6a44bbf2-78
0.403
MAK-UNK-7c9d1431-13
0.403
BAP-BUY-55f8bcae-1
0.403
MAT-POS-590ac91e-66
0.388
SIM-SYN-3099a863-1
0.382
SAD-SAT-b55127ae-5
0.381
MAR-LAB-ff9967db-22
0.378
MAR-TRE-f6f5f473-23
0.377
DRR-IMP-dff87f5e-3
0.371
JAR-KUA-41bd5a3d-19
0.371
AAR-POS-d2a4d1df-44
0.371
MAK-UNK-7c9d1431-17
0.369
MAR-TRE-6a44bbf2-58
0.365
KAY-MCD-d0fe5261-1
0.365
DRR-IMP-dff87f5e-1
0.365
DRR-IMP-dff87f5e-7
0.365
MAK-UNK-6435e6c2-5
0.355
SAD-SAT-bc31ec01-9
0.355
MAK-UNK-7c9d1431-22
0.353
ALE-MCD-a1893bfb-1
0.350
MAK-UNK-c74072e5-8
0.348
MAK-UNK-7c9d1431-8
0.348
DRR-IMP-dff87f5e-6
0.348
DRR-IMP-dff87f5e-9
0.348
MAK-UNK-7c9d1431-6
0.348
MAR-TRE-6a44bbf2-26
0.348
DRA-CSI-7ec17797-19
0.348
CLI-UNI-032f7715-4
0.345
MAR-TRE-6a44bbf2-32
0.343
ABB-MCD-f8003a30-1
0.343
PEI-IMP-3d837503-1
0.343
PEI-IMP-3d837503-2
0.339
MAT-POS-b5746674-21
0.337
MAK-UNK-3f402c2b-5
0.333
PEI-IMP-3d837503-4
0.333
MAR-TRE-6a44bbf2-21
0.333
MAK-UNK-7c9d1431-9
0.333
SAD-SAT-f2e2579e-5
0.333
MAK-UNK-10dfa458-18
0.328
MAK-UNK-23561bf6-1
0.328
NAU-LAT-f723e322-6
0.325
ANT-OPE-7824651a-2
0.324
DRA-CSI-3ab97369-6
0.323
PEI-IMP-ca0b2813-2
0.323
MAR-TRE-a3327163-57
0.323
MAK-UNK-10dfa458-46
0.323
MAT-POS-ee51dedd-2
0.323
MAR-TRE-2fd8122f-6
0.321
PEI-IMP-3d837503-3
0.317
MAK-UNK-7264f48c-5
0.316
DAN-MCD-5c762fbe-1
0.313
SAD-SAT-135344c3-4
0.312
MAK-UNK-df1a028e-5
0.311
ANT-OPE-7824651a-1
0.311
SAD-SAT-65574d3f-4
0.310
MAR-TRE-6a44bbf2-48
0.310
SAD-SAT-2fd372d1-6
0.310
BEN-DND-03406596-8
0.310
GIA-UNK-595fac82-4
0.309
MAR-TRE-6a44bbf2-12
0.309
MAK-UNK-7264f48c-1
0.308
SAD-SAT-9a6c5cf3-5
0.308
MAK-UNK-7264f48c-4
0.305
JAN-GHE-4287bd1a-1
0.304
MAK-UNK-7c9d1431-10
0.304
SAD-SAT-f2e2579e-10
0.304
SAD-SAT-3a925b8b-2
0.303
MAK-UNK-6435e6c2-6
0.302
MAK-UNK-6435e6c2-1
0.302
JAR-KUA-41bd5a3d-4
0.301
WAR-XCH-79d12f6e-4
0.300
AAR-POS-d2a4d1df-36
0.300
KEI-TRE-d5e2018a-32
0.299
MAR-TRE-3e4e6814-34
0.299
JAY-UNK-11f5bdbd-1
0.299
MAK-UNK-7264f48c-3
0.298
WAR-XCH-b72a1bbc-43
0.297
NIM-UNI-05f93fcc-11
0.297
MAK-UNK-009ebe36-2
0.296
WAR-XCH-b6889685-25
0.296