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PUBCHEM-ZINC06183563 |
MMsINC code: MMs03585420 |
Type: Neutral Formula: C17H23N3O7
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Potential Energy Epot(MMFF94)=60.8788 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 381.385 g/mol | logS: -2.47372 | SlogP: -0.5382 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.0702985 | Sterimol/B1: 2.19576 | Sterimol/B2: 4.34979 | Sterimol/B3: 5.63411 | |||
Sterimol/B4: 5.86004 | Sterimol/L: 19.8963 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 657.523 | Positive charged surface: 449.984 | Negative charged surface: 207.54 | Volume: 346.125 | |||
Hydrophobic surface: 412.514 | Hydrophilic surface: 245.009 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 4 | Hydrogen bond acceptors: 5 | 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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