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NCID-ZINC03947481 |
MMsINC code: MMs02381982 |
Type: Ionized Formula: C30H45O4-
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Potential Energy Epot(MMFF94)=176.855 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 469.686 g/mol | logS: -7.75798 | SlogP: 5.0779 | Reactive groups: 1 | |||
Topological Properties | ||||||
Globularity: 0.128303 | Sterimol/B1: 3.21088 | Sterimol/B2: 3.36382 | Sterimol/B3: 5.72825 | |||
Sterimol/B4: 6.24051 | Sterimol/L: 18.1126 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 668.972 | Positive charged surface: 457.727 | Negative charged surface: 211.244 | Volume: 487.375 | |||
Hydrophobic surface: 449.629 | Hydrophilic surface: 219.343 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 1 | Hydrogen bond acceptors: 2 | Acid groups: 2 | Basic groups: 0 | |||
Chiral centers: 9 | ||||||
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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