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NCID-ZINC01584703

 MMsINC code: MMs02241285
Type: Neutral
Formula: C15H19NO3
SMILES:   O(CCOCCOCC)c1c2ncccc2ccc1
InChI:   InChI=1/C15H19NO3/c1-2-17-9-10-18-11-12-19-14-7-3-5-13-6-4-8-16-15(13)14/h3-8H,2,9-12H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=81.1039 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 261.321 g/mol  logS: -2.63629  SlogP: 2.6667  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.140087  Sterimol/B1: 2.0734  Sterimol/B2: 3.75654  Sterimol/B3: 5.51457
  Sterimol/B4: 6.35419  Sterimol/L: 14.9502 
 
 Surface and Volume Properties
  Accessible surface: 558.406  Positive charged surface: 421.516  Negative charged surface: 131.402  Volume: 266.125
  Hydrophobic surface: 502.764  Hydrophilic surface: 55.642
 
 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.