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NCID-ZINC01587095

 MMsINC code: MMs02243030
Type: Ionized
Formula: C6H10O4P-
SMILES:   P1(OC2C(CCC2)CO1)(=O)[O-]
InChI:   InChI=1/C6H11O4P/c7-11(8)9-4-5-2-1-3-6(5)10-11/h5-6H,1-4H2,(H,7,8)/p-1/t5-,6+/m0/s1

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Potential Energy
Epot(MMFF94)=-10.045 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 177.116 g/mol  logS: -0.5716  SlogP: -0.3999  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.18496  Sterimol/B1: 3.02733  Sterimol/B2: 3.26327  Sterimol/B3: 3.49451
  Sterimol/B4: 4.13141  Sterimol/L: 9.93655 
 
 Surface and Volume Properties
  Accessible surface: 325.206  Positive charged surface: 197.189  Negative charged surface: 128.017  Volume: 142.125
  Hydrophobic surface: 209.416  Hydrophilic surface: 115.79
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 2  Basic groups: 0
  Chiral centers: 2
 
 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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Parent related molecule:


MMs02243029
NCID-ZINC01587095