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NCID-ZINC05081599 |
MMsINC code: MMs02437752 |
Type: Neutral Formula: C29H35N5O7
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Potential Energy Epot(MMFF94)=67.1785 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 565.627 g/mol | logS: -6.42355 | SlogP: 2.85247 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.0744086 | Sterimol/B1: 4.72893 | Sterimol/B2: 5.03774 | Sterimol/B3: 6.9746 | |||
Sterimol/B4: 10.483 | Sterimol/L: 21.6787 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 956.344 | Positive charged surface: 608.992 | Negative charged surface: 347.352 | Volume: 530.125 | |||
Hydrophobic surface: 663.466 | Hydrophilic surface: 292.878 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 4 | Hydrogen bond acceptors: 6 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 2 | ||||||
Drug- and Lead-like Properties | ||||||
Lipinski's drug-like rule: 0 | Violations of Lipinski's rule: 2 | Oprea's lead like rule: 0 |
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