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CHEMBLOCK-ZINC03115751

 MMsINC code: MMs00536754
Type: Neutral
Formula: C7H14NO6P
SMILES:   P(O)(=O)(CCC(O)=O)CNCCC(O)=O
InChI:   InChI=1/C7H14NO6P/c9-6(10)1-3-8-5-15(13,14)4-2-7(11)12/h8H,1-5H2,(H,9,10)(H,11,12)(H,13,14)

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Potential Energy
Epot(MMFF94)=11.3508 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 239.164 g/mol  logS: 1.7604  SlogP: -1.3169  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0553095  Sterimol/B1: 3.27992  Sterimol/B2: 3.41443  Sterimol/B3: 3.47153
  Sterimol/B4: 3.56826  Sterimol/L: 15.8774 
 
 Surface and Volume Properties
  Accessible surface: 443.091  Positive charged surface: 279.105  Negative charged surface: 163.986  Volume: 199.25
  Hydrophobic surface: 165.5  Hydrophilic surface: 277.591
 
 Pharmacophoric Properties
  Hydrogen bond donors: 7  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs00536755
CHEMBLOCK-ZINC03115751