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CHEMBRIDGE-ZINC03003610

 MMsINC code: MMs00751539
Type: Neutral
Formula: C19H25NO
SMILES:   O(CCNCc1ccccc1)c1cc(ccc1C(C)C)C
InChI:   InChI=1/C19H25NO/c1-15(2)18-10-9-16(3)13-19(18)21-12-11-20-14-17-7-5-4-6-8-17/h4-10,13,15,20H,11-12,14H2,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=65.7863 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 283.415 g/mol  logS: -4.63493  SlogP: 4.55342  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.112965  Sterimol/B1: 2.27802  Sterimol/B2: 2.63217  Sterimol/B3: 5.1296
  Sterimol/B4: 7.96578  Sterimol/L: 15.1753 
 
 Surface and Volume Properties
  Accessible surface: 601.863  Positive charged surface: 403.464  Negative charged surface: 198.399  Volume: 313
  Hydrophobic surface: 548.527  Hydrophilic surface: 53.336
 
 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


MMs00751540
CHEMBRIDGE-ZINC03003610