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IBS-ZINC00494724

 MMsINC code: MMs01739386
Type: Neutral
Formula: C10H11O3P
SMILES:   P1(OC(=O)C(C1)C)(=O)c1ccccc1
InChI:   InChI=1/C10H11O3P/c1-8-7-14(12,13-10(8)11)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3/t8-,14+/m0/s1

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Potential Energy
Epot(MMFF94)=29.1191 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.169 g/mol  logS: -1.67874  SlogP: 0.7127  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0735008  Sterimol/B1: 3.05074  Sterimol/B2: 3.19721  Sterimol/B3: 3.67961
  Sterimol/B4: 4.26873  Sterimol/L: 12.7516 
 
 Surface and Volume Properties
  Accessible surface: 393.173  Positive charged surface: 205.586  Negative charged surface: 187.587  Volume: 190.75
  Hydrophobic surface: 286.697  Hydrophilic surface: 106.476
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  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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Ions/Tautomers related molecules: no related molecules available.