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CHEMBRIDGE-ZINC03002169

 MMsINC code: MMs00750546
Type: Neutral
Formula: C18H23NO3
SMILES:   O(Cc1ccccc1)c1ccc(OCCNCCOC)cc1
InChI:   InChI=1/C18H23NO3/c1-20-13-11-19-12-14-21-17-7-9-18(10-8-17)22-15-16-5-3-2-4-6-16/h2-10,19H,11-15H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=81.8045 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 301.386 g/mol  logS: -3.16312  SlogP: 3.1468  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0344865  Sterimol/B1: 2.13474  Sterimol/B2: 2.61542  Sterimol/B3: 4.57346
  Sterimol/B4: 6.74621  Sterimol/L: 20.627 
 
 Surface and Volume Properties
  Accessible surface: 632.518  Positive charged surface: 461.01  Negative charged surface: 171.508  Volume: 312.25
  Hydrophobic surface: 598.507  Hydrophilic surface: 34.011
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs00750547
CHEMBRIDGE-ZINC03002169