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NCID-ZINC01640930

 MMsINC code: MMs02282982
Type: Neutral
Formula: C12H18N2O2
SMILES:   O(C(CN(C)C)C)C(=O)Nc1ccccc1
InChI:   InChI=1/C12H18N2O2/c1-10(9-14(2)3)16-12(15)13-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H,13,15)/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=42.7558 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 222.288 g/mol  logS: -1.88889  SlogP: 2.1852  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0800911  Sterimol/B1: 2.03494  Sterimol/B2: 2.55327  Sterimol/B3: 4.06769
  Sterimol/B4: 6.71975  Sterimol/L: 14.5334 
 
 Surface and Volume Properties
  Accessible surface: 478.378  Positive charged surface: 351.271  Negative charged surface: 127.107  Volume: 231.75
  Hydrophobic surface: 408.357  Hydrophilic surface: 70.021
 
 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


MMs02282983
NCID-ZINC01640930