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PUBCHEM-ZINC00277448

 MMsINC code: MMs02649138
Type: Neutral
Formula: C17H21NO
SMILES:   OCCN(Cc1ccccc1C)Cc1ccccc1
InChI:   InChI=1/C17H21NO/c1-15-7-5-6-10-17(15)14-18(11-12-19)13-16-8-3-2-4-9-16/h2-10,19H,11-14H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=76.8082 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 255.361 g/mol  logS: -3.29561  SlogP: 3.52232  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.239723  Sterimol/B1: 2.51274  Sterimol/B2: 3.28908  Sterimol/B3: 4.70403
  Sterimol/B4: 7.39601  Sterimol/L: 13.0854 
 
 Surface and Volume Properties
  Accessible surface: 488.815  Positive charged surface: 331.485  Negative charged surface: 157.33  Volume: 278.25
  Hydrophobic surface: 437.364  Hydrophilic surface: 51.451
 
 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


MMs02649139
PUBCHEM-ZINC00277448