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PUBCHEM-ZINC06273217 |
MMsINC code: MMs03652033 |
Type: Ionized Formula: C20H31O5-
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Potential Energy Epot(MMFF94)=23.8033 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 351.463 g/mol | logS: -3.30274 | SlogP: 2.3486 | Reactive groups: 1 | |||
Topological Properties | ||||||
Globularity: 0.0599241 | Sterimol/B1: 3.24745 | Sterimol/B2: 3.31192 | Sterimol/B3: 5.66667 | |||
Sterimol/B4: 7.12134 | Sterimol/L: 16.6973 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 634.742 | Positive charged surface: 429.803 | Negative charged surface: 204.939 | Volume: 366.25 | |||
Hydrophobic surface: 410.732 | Hydrophilic surface: 224.01 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 1 | Hydrogen bond acceptors: 3 | Acid groups: 2 | Basic groups: 0 | |||
Chiral centers: 3 | ||||||
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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