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NCID-ZINC04216828 |
MMsINC code: MMs02383254 |
Type: Neutral Formula: C25H32O4
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Potential Energy Epot(MMFF94)=148.47 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 396.527 g/mol | logS: -5.21083 | SlogP: 4.7414 | Reactive groups: 1 | |||
Topological Properties | ||||||
Globularity: 0.144094 | Sterimol/B1: 2.34508 | Sterimol/B2: 4.44365 | Sterimol/B3: 4.52279 | |||
Sterimol/B4: 7.43303 | Sterimol/L: 16.0049 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 607.336 | Positive charged surface: 368.95 | Negative charged surface: 238.386 | Volume: 393.125 | |||
Hydrophobic surface: 463.898 | Hydrophilic surface: 143.438 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 0 | Hydrogen bond acceptors: 3 | 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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