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PUBCHEM-ZINC05739365

 MMsINC code: MMs03367596
Type: Neutral
Formula: C11H14N2O2
SMILES:   OC1CCC(NC(=O)N)c2c1cccc2
InChI:   InChI=1/C11H14N2O2/c12-11(15)13-9-5-6-10(14)8-4-2-1-3-7(8)9/h1-4,9-10,14H,5-6H2,(H3,12,13,15)/t9-,10+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=8.00487 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 206.245 g/mol  logS: -1.80162  SlogP: 1.4142  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.193309  Sterimol/B1: 2.54437  Sterimol/B2: 3.17634  Sterimol/B3: 3.46943
  Sterimol/B4: 7.55901  Sterimol/L: 10.644 
 
 Surface and Volume Properties
  Accessible surface: 395.388  Positive charged surface: 255.809  Negative charged surface: 139.579  Volume: 195.75
  Hydrophobic surface: 243.519  Hydrophilic surface: 151.869
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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: no related molecules available.