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FDA-ZINC03830850 |
MMsINC code: MMs01726763 |
Type: Neutral Formula: C10H13FN5O7P
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Potential Energy Epot(MMFF94)=-3.90988 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 365.214 g/mol | logS: -1.64698 | SlogP: -2.6986 | Reactive groups: 1 | |||
Topological Properties | ||||||
Globularity: 0.0777223 | Sterimol/B1: 2.94839 | Sterimol/B2: 3.03646 | Sterimol/B3: 4.30011 | |||
Sterimol/B4: 6.40316 | Sterimol/L: 15.8923 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 548.328 | Positive charged surface: 345.098 | Negative charged surface: 203.23 | Volume: 267.75 | |||
Hydrophobic surface: 164.23 | Hydrophilic surface: 384.098 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 6 | Hydrogen bond acceptors: 10 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 4 | ||||||
Drug- and Lead-like Properties | ||||||
Lipinski's drug-like rule: 1 | Violations of Lipinski's rule: 1 | Oprea's lead like rule: 1 |
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