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IBS-ZINC02128954 |
MMsINC code: MMs01792176 |
Type: Neutral Formula: C18H21N3O7
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Potential Energy Epot(MMFF94)=47.0861 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 391.38 g/mol | logS: -3.4375 | SlogP: 1.1331 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.211299 | Sterimol/B1: 2.24901 | Sterimol/B2: 3.51638 | Sterimol/B3: 6.16911 | |||
Sterimol/B4: 7.99008 | Sterimol/L: 15.5839 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 621.22 | Positive charged surface: 370.14 | Negative charged surface: 251.08 | Volume: 345 | |||
Hydrophobic surface: 321.036 | Hydrophilic surface: 300.184 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 6 | Hydrogen bond acceptors: 7 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 2 | ||||||
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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