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CHEMBRIDGE-ZINC02495475

 MMsINC code: MMs00711408
Type: Neutral
Formula: C10H13NO3
SMILES:   O(CCOC(=O)N)c1ccc(cc1)C
InChI:   InChI=1/C10H13NO3/c1-8-2-4-9(5-3-8)13-6-7-14-10(11)12/h2-5H,6-7H2,1H3,(H2,11,12)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=18.2821 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 195.218 g/mol  logS: -2.26456  SlogP: 1.46912  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0428019  Sterimol/B1: 2.47692  Sterimol/B2: 3.41976  Sterimol/B3: 3.4216
  Sterimol/B4: 3.66375  Sterimol/L: 14.4746 
 
 Surface and Volume Properties
  Accessible surface: 432.173  Positive charged surface: 285.655  Negative charged surface: 146.518  Volume: 190.5
  Hydrophobic surface: 300.606  Hydrophilic surface: 131.567
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.