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PUBCHEM-ZINC03871096 |
MMsINC code: MMs03080193 |
Type: Neutral Formula: C20H27N3O5
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Potential Energy Epot(MMFF94)=85.3739 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 389.452 g/mol | logS: -2.62367 | SlogP: 0.66697 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.0820707 | Sterimol/B1: 2.0952 | Sterimol/B2: 3.34769 | Sterimol/B3: 4.53689 | |||
Sterimol/B4: 10.6776 | Sterimol/L: 17.6141 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 646.15 | Positive charged surface: 406.793 | Negative charged surface: 239.357 | Volume: 371.75 | |||
Hydrophobic surface: 428.432 | Hydrophilic surface: 217.718 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 4 | Hydrogen bond acceptors: 6 | Acid groups: 0 | 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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