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IBS-ZINC02327761

 MMsINC code: MMs01833512
Type: Neutral
Formula: C13H21O5P
SMILES:   P(OCC)(OCC)(=O)Cc1oc(cc1)C(=O)CCC
InChI:   InChI=1/C13H21O5P/c1-4-7-12(14)13-9-8-11(18-13)10-19(15,16-5-2)17-6-3/h8-9H,4-7,10H2,1-3H3

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Potential Energy
Epot(MMFF94)=26.8445 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.28 g/mol  logS: -2.96745  SlogP: 3.2247  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0886001  Sterimol/B1: 2.66145  Sterimol/B2: 3.42999  Sterimol/B3: 5.06338
  Sterimol/B4: 6.5251  Sterimol/L: 16.1472 
 
 Surface and Volume Properties
  Accessible surface: 572.612  Positive charged surface: 399.946  Negative charged surface: 172.666  Volume: 278.5
  Hydrophobic surface: 432.834  Hydrophilic surface: 139.778
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.