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NCID-ZINC05182050 |
MMsINC code: MMs02446693 |
Type: Neutral Formula: C32H39N3O10
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Potential Energy Epot(MMFF94)=204.843 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 625.675 g/mol | logS: -5.65833 | SlogP: 2.21767 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.067814 | Sterimol/B1: 2.43815 | Sterimol/B2: 4.16257 | Sterimol/B3: 6.87627 | |||
Sterimol/B4: 10.184 | Sterimol/L: 24.0096 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 940.073 | Positive charged surface: 682.414 | Negative charged surface: 257.659 | Volume: 567.875 | |||
Hydrophobic surface: 606.836 | Hydrophilic surface: 333.237 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 6 | Hydrogen bond acceptors: 12 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 6 | ||||||
Drug- and Lead-like Properties | ||||||
Lipinski's drug-like rule: 0 | Violations of Lipinski's rule: 3 | Oprea's lead like rule: 0 |
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