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NCID-ZINC05371099 |
MMsINC code: MMs02455887 |
Type: Neutral Formula: C30H35NO6
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Potential Energy Epot(MMFF94)=190.874 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 505.611 g/mol | logS: -5.81694 | SlogP: 4.2126 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.193061 | Sterimol/B1: 4.18423 | Sterimol/B2: 4.41468 | Sterimol/B3: 6.65548 | |||
Sterimol/B4: 7.76864 | Sterimol/L: 17.5427 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 800.042 | Positive charged surface: 556.187 | Negative charged surface: 243.855 | Volume: 497.75 | |||
Hydrophobic surface: 750.133 | Hydrophilic surface: 49.909 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 1 | Hydrogen bond acceptors: 6 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 5 | ||||||
Drug- and Lead-like Properties | ||||||
Lipinski's drug-like rule: 1 | Violations of Lipinski's rule: 1 | Oprea's lead like rule: 0 |
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