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PUBCHEM-ZINC05829813

 MMsINC code: MMs03404784
Type: Neutral
Formula: C4H12NO8P
SMILES:   P(OCC(O)C(O)C(O)NO)(O)(O)=O
InChI:   InChI=1/C4H12NO8P/c6-2(1-13-14(10,11)12)3(7)4(8)5-9/h2-9H,1H2,(H2,10,11,12)/t2-,3+,4+/m0/s1

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Potential Energy
Epot(MMFF94)=-21.0637 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 233.113 g/mol  logS: 2.05656  SlogP: -3.9555  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0729297  Sterimol/B1: 2.90762  Sterimol/B2: 3.24896  Sterimol/B3: 3.60215
  Sterimol/B4: 3.75733  Sterimol/L: 14.0654 
 
 Surface and Volume Properties
  Accessible surface: 407.954  Positive charged surface: 239.105  Negative charged surface: 168.85  Volume: 170.875
  Hydrophobic surface: 61.7323  Hydrophilic surface: 346.2217
 
 Pharmacophoric Properties
  Hydrogen bond donors: 8  Hydrogen bond acceptors: 9  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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


MMs03404785
PUBCHEM-ZINC05829813