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NCID-ZINC01676911

 MMsINC code: MMs02312012
Type: Neutral
Formula: C12H21O3P
SMILES:   P(OCC(C)=C)(OCC(C)=C)(=O)C=C(C)C
InChI:   InChI=1/C12H21O3P/c1-10(2)7-14-16(13,9-12(5)6)15-8-11(3)4/h9H,1,3,7-8H2,2,4-6H3

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Potential Energy
Epot(MMFF94)=25.8792 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.271 g/mol  logS: -0.93462  SlogP: 3.2184  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.176781  Sterimol/B1: 2.35237  Sterimol/B2: 5.71104  Sterimol/B3: 5.73452
  Sterimol/B4: 6.44067  Sterimol/L: 12.0584 
 
 Surface and Volume Properties
  Accessible surface: 501.045  Positive charged surface: 297.867  Negative charged surface: 203.179  Volume: 255.125
  Hydrophobic surface: 369.766  Hydrophilic surface: 131.279
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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: no related molecules available.