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NCID-ZINC01705226

 MMsINC code: MMs02333846
Type: Neutral
Formula: C9H11O3P
SMILES:   P1(OC(CO1)C)Oc1ccccc1
InChI:   InChI=1/C9H11O3P/c1-8-7-10-13(11-8)12-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3/t8-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=34.7003 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 198.158 g/mol  logS: -2.19355  SlogP: 2.7276  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0358577  Sterimol/B1: 2.82477  Sterimol/B2: 3.14388  Sterimol/B3: 3.298
  Sterimol/B4: 4.27646  Sterimol/L: 13.3381 
 
 Surface and Volume Properties
  Accessible surface: 396.341  Positive charged surface: 259.591  Negative charged surface: 136.75  Volume: 179.5
  Hydrophobic surface: 328.561  Hydrophilic surface: 67.78
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.