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ASINEX-ZINC06678082

 MMsINC code: MMs00442466
Type: Neutral
Formula: C10H15NO
SMILES:   O(C)c1ccc(cc1C)CCN
InChI:   InChI=1/C10H15NO/c1-8-7-9(5-6-11)3-4-10(8)12-2/h3-4,7H,5-6,11H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=37.8298 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 165.236 g/mol  logS: -1.32212  SlogP: 1.50479  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0608507  Sterimol/B1: 2.18572  Sterimol/B2: 2.5965  Sterimol/B3: 2.91792
  Sterimol/B4: 6.2458  Sterimol/L: 12.9964 
 
 Surface and Volume Properties
  Accessible surface: 395.421  Positive charged surface: 306.721  Negative charged surface: 88.6993  Volume: 181
  Hydrophobic surface: 324.179  Hydrophilic surface: 71.242
 
 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


MMs00442467
ASINEX-ZINC06678082