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NCID-ZINC01587095

 MMsINC code: MMs02243029
Type: Neutral
Formula: C6H11O4P
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)/t5-,6+/m0/s1

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Potential Energy
Epot(MMFF94)=-24.3731 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 178.124 g/mol  logS: -0.50008  SlogP: 0.2321  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.156585  Sterimol/B1: 2.68809  Sterimol/B2: 3.22396  Sterimol/B3: 3.53431
  Sterimol/B4: 4.4057  Sterimol/L: 10.448 
 
 Surface and Volume Properties
  Accessible surface: 334.137  Positive charged surface: 221.227  Negative charged surface: 112.91  Volume: 145.75
  Hydrophobic surface: 210.642  Hydrophilic surface: 123.495
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs02243030
NCID-ZINC01587095