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PUBCHEM-ZINC03870395

 MMsINC code: MMs03079557
Type: Neutral
Formula: C10H20NO9P
SMILES:   P(O)(O)(=O)C1OC(C(O)C(O)CO)C(NC(=O)C)C(O)C1
InChI:   InChI=1/C10H20NO9P/c1-4(13)11-8-5(14)2-7(21(17,18)19)20-10(8)9(16)6(15)3-12/h5-10,12,14-16H,2-3H2,1H3,(H,11,13)(H2,17,18,19)/t5-,6-,7+,8+,9-,10+/m1/s1

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Potential Energy
Epot(MMFF94)=56.9327 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 329.242 g/mol  logS: 1.33523  SlogP: -4.2114  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.113739  Sterimol/B1: 3.21143  Sterimol/B2: 3.24033  Sterimol/B3: 5.171
  Sterimol/B4: 7.14958  Sterimol/L: 13.6327 
 
 Surface and Volume Properties
  Accessible surface: 509.749  Positive charged surface: 343.585  Negative charged surface: 166.164  Volume: 264.375
  Hydrophobic surface: 213.979  Hydrophilic surface: 295.77
 
 Pharmacophoric Properties
  Hydrogen bond donors: 8  Hydrogen bond acceptors: 9  Acid groups: 0  Basic groups: 0
  Chiral centers: 6
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.