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NCID-ZINC01575535 |
MMsINC code: MMs02234344 |
Type: Neutral Formula: C17H25N3O5
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Potential Energy Epot(MMFF94)=98.527 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 351.403 g/mol | logS: -2.64972 | SlogP: -0.00633 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.144378 | Sterimol/B1: 2.10418 | Sterimol/B2: 4.31159 | Sterimol/B3: 6.07338 | |||
Sterimol/B4: 7.74063 | Sterimol/L: 14.7278 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 600.87 | Positive charged surface: 402.612 | Negative charged surface: 198.258 | Volume: 334.75 | |||
Hydrophobic surface: 306.526 | Hydrophilic surface: 294.344 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 6 | Hydrogen bond acceptors: 6 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 2 | ||||||
Drug- and Lead-like Properties | ||||||
Lipinski's drug-like rule: 1 | Violations of Lipinski's rule: 0 | Oprea's lead like rule: 1 |
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