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PUBCHEM-ZINC04879161 |
MMsINC code: MMs03181344 |
Type: Neutral Formula: C24H23N3O7
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Potential Energy Epot(MMFF94)=104.481 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 465.462 g/mol | logS: -5.94769 | SlogP: 2.33844 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.0918055 | Sterimol/B1: 2.84963 | Sterimol/B2: 3.15225 | Sterimol/B3: 5.21437 | |||
Sterimol/B4: 12.1324 | Sterimol/L: 20.0501 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 790.938 | Positive charged surface: 468.06 | Negative charged surface: 322.878 | Volume: 421.125 | |||
Hydrophobic surface: 551.951 | Hydrophilic surface: 238.987 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 1 | 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: 0 |
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