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NCID-ZINC05848297 |
MMsINC code: MMs02507210 |
Type: Neutral Formula: C29H40N2O7
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Potential Energy Epot(MMFF94)=100.686 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 528.646 g/mol | logS: -6.16765 | SlogP: 4.8284 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.113049 | Sterimol/B1: 2.23433 | Sterimol/B2: 5.30641 | Sterimol/B3: 6.78777 | |||
Sterimol/B4: 9.57953 | Sterimol/L: 19.3585 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 880.051 | Positive charged surface: 553.009 | Negative charged surface: 327.042 | Volume: 526.375 | |||
Hydrophobic surface: 691.524 | Hydrophilic surface: 188.527 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 2 | Hydrogen bond acceptors: 6 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 4 | ||||||
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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