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CHEMSTAR-ZINC04180967

 MMsINC code: MMs01110631
Type: Neutral
Formula: C11H15NO3
SMILES:   o1cccc1C(=O)CCN1CCOCC1
InChI:   InChI=1/C11H15NO3/c13-10(11-2-1-7-15-11)3-4-12-5-8-14-9-6-12/h1-2,7H,3-6,8-9H2

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Potential Energy
Epot(MMFF94)=45.3594 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 209.245 g/mol  logS: -1.51265  SlogP: 1.1846  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0458147  Sterimol/B1: 3.05342  Sterimol/B2: 3.25908  Sterimol/B3: 3.75466
  Sterimol/B4: 3.91405  Sterimol/L: 14.4892 
 
 Surface and Volume Properties
  Accessible surface: 432.554  Positive charged surface: 308.664  Negative charged surface: 123.889  Volume: 206.125
  Hydrophobic surface: 378.481  Hydrophilic surface: 54.073
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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


MMs01110632
CHEMSTAR-ZINC04180967