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PUBCHEM-ZINC05342265

 MMsINC code: MMs03244824
Type: Neutral
Formula: C10H15NO
SMILES:   OC(CN(C)C)c1ccccc1
InChI:   InChI=1/C10H15NO/c1-11(2)8-10(12)9-6-4-3-5-7-9/h3-7,10,12H,8H2,1-2H3/t10-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=53.0793 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 165.236 g/mol  logS: -1.05379  SlogP: 1.3771  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.102617  Sterimol/B1: 2.50223  Sterimol/B2: 3.3411  Sterimol/B3: 3.6676
  Sterimol/B4: 4.7029  Sterimol/L: 12.3005 
 
 Surface and Volume Properties
  Accessible surface: 383.529  Positive charged surface: 277.502  Negative charged surface: 106.027  Volume: 183.125
  Hydrophobic surface: 342.796  Hydrophilic surface: 40.733
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs03244825
PUBCHEM-ZINC05342265