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NCID-ZINC01760444

 MMsINC code: MMs02366958
Type: Neutral
Formula: C11H16N2O2
SMILES:   Oc1ccc(NC(=O)C)cc1CN(C)C
InChI:   InChI=1/C11H16N2O2/c1-8(14)12-10-4-5-11(15)9(6-10)7-13(2)3/h4-6,15H,7H2,1-3H3,(H,12,14)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=54.0402 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 208.261 g/mol  logS: -1.10383  SlogP: 1.6786  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0733911  Sterimol/B1: 2.74846  Sterimol/B2: 3.06708  Sterimol/B3: 3.32024
  Sterimol/B4: 5.97769  Sterimol/L: 13.4509 
 
 Surface and Volume Properties
  Accessible surface: 435.775  Positive charged surface: 331.912  Negative charged surface: 103.863  Volume: 210
  Hydrophobic surface: 338.016  Hydrophilic surface: 97.759
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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


MMs02366959
NCID-ZINC01760444