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ENAMINE-ZINC03199949

 MMsINC code: MMs01303975
Type: Neutral
Formula: C10H11OP
SMILES:   P1(=O)(CCC=C1)c1ccccc1
InChI:   InChI=1/C10H11OP/c11-12(8-4-5-9-12)10-6-2-1-3-7-10/h1-4,6-8H,5,9H2/t12-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=45.3152 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 178.171 g/mol  logS: -1.22945  SlogP: 1.5222  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.123833  Sterimol/B1: 3.08453  Sterimol/B2: 3.42959  Sterimol/B3: 3.74912
  Sterimol/B4: 4.10825  Sterimol/L: 11.3938 
 
 Surface and Volume Properties
  Accessible surface: 375.98  Positive charged surface: 200.394  Negative charged surface: 175.585  Volume: 175.875
  Hydrophobic surface: 309.576  Hydrophilic surface: 66.404
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.