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PUBCHEM-ZINC06071568

 MMsINC code: MMs03524392
Type: Neutral
Formula: C10H15N
SMILES:   N(Cc1cc(ccc1)C)(C)C
InChI:   InChI=1/C10H15N/c1-9-5-4-6-10(7-9)8-11(2)3/h4-7H,8H2,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=35.9717 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 149.237 g/mol  logS: -1.73025  SlogP: 2.32302  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0928919  Sterimol/B1: 2.36402  Sterimol/B2: 2.95943  Sterimol/B3: 3.42456
  Sterimol/B4: 5.81288  Sterimol/L: 11.0672 
 
 Surface and Volume Properties
  Accessible surface: 376.817  Positive charged surface: 286.331  Negative charged surface: 90.4861  Volume: 175.375
  Hydrophobic surface: 368.428  Hydrophilic surface: 8.389
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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


MMs03524393
PUBCHEM-ZINC06071568