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FDA-ZINC03831090 |
MMsINC code: MMs01726979 |
Type: Neutral Formula: C27H36O7
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Potential Energy Epot(MMFF94)=170.229 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 472.578 g/mol | logS: -5.31003 | SlogP: 3.3353 | Reactive groups: 1 | |||
Topological Properties | ||||||
Globularity: 0.144026 | Sterimol/B1: 2.18668 | Sterimol/B2: 2.92707 | Sterimol/B3: 5.35021 | |||
Sterimol/B4: 9.75871 | Sterimol/L: 17.2938 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 712.705 | Positive charged surface: 453.639 | Negative charged surface: 259.066 | Volume: 448.125 | |||
Hydrophobic surface: 481.821 | Hydrophilic surface: 230.884 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 1 | Hydrogen bond acceptors: 5 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 8 | ||||||
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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