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ASINEX-ZINC04943305

 MMsINC code: MMs00407850
Type: Neutral
Formula: C15H20N2O2
SMILES:   OC(=O)CCn1c2c(cccc2)c(CN(C)C)c1C
InChI:   InChI=1/C15H20N2O2/c1-11-13(10-16(2)3)12-6-4-5-7-14(12)17(11)9-8-15(18)19/h4-7H,8-10H2,1-3H3,(H,18,19)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=32.6212 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.337 g/mol  logS: -1.63139  SlogP: 3.01882  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0693063  Sterimol/B1: 1.969  Sterimol/B2: 3.0754  Sterimol/B3: 3.22094
  Sterimol/B4: 8.51723  Sterimol/L: 14.378 
 
 Surface and Volume Properties
  Accessible surface: 495.62  Positive charged surface: 345.524  Negative charged surface: 147.049  Volume: 268.125
  Hydrophobic surface: 386.773  Hydrophilic surface: 108.847
 
 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: no related molecules available.