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NCID-ZINC05923040 |
MMsINC code: MMs02511427 |
Type: Neutral Formula: C26H34O7
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Potential Energy Epot(MMFF94)=142.446 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 458.551 g/mol | logS: -6.42311 | SlogP: 4.228 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.174404 | Sterimol/B1: 4.09716 | Sterimol/B2: 4.62072 | Sterimol/B3: 5.08257 | |||
Sterimol/B4: 7.81628 | Sterimol/L: 15.412 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 687.03 | Positive charged surface: 457.791 | Negative charged surface: 229.24 | Volume: 440.875 | |||
Hydrophobic surface: 520.84 | Hydrophilic surface: 166.19 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 1 | Hydrogen bond acceptors: 5 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 6 | ||||||
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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