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PUBCHEM-ZINC05807077 |
MMsINC code: MMs03393190 |
Type: Neutral Formula: C17H21N3O5
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Potential Energy Epot(MMFF94)=41.491 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 347.371 g/mol | logS: -3.88695 | SlogP: 1.8224 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.13465 | Sterimol/B1: 2.42219 | Sterimol/B2: 3.79824 | Sterimol/B3: 4.13472 | |||
Sterimol/B4: 9.12293 | Sterimol/L: 16.1429 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 594.422 | Positive charged surface: 369.697 | Negative charged surface: 224.726 | Volume: 320.125 | |||
Hydrophobic surface: 361.635 | Hydrophilic surface: 232.787 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 4 | Hydrogen bond acceptors: 5 | 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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