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IBS-ZINC02421722 |
MMsINC code: MMs01858691 |
Type: Neutral Formula: C25H25N3O3
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Potential Energy Epot(MMFF94)=89.1543 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 415.493 g/mol | logS: -5.91586 | SlogP: 4.53017 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.0366741 | Sterimol/B1: 2.26431 | Sterimol/B2: 3.4506 | Sterimol/B3: 4.21922 | |||
Sterimol/B4: 8.82015 | Sterimol/L: 22.2566 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 712.915 | Positive charged surface: 482.576 | Negative charged surface: 230.339 | Volume: 405.875 | |||
Hydrophobic surface: 579.936 | Hydrophilic surface: 132.979 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 1 | Hydrogen bond acceptors: 5 | 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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