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CHEMBLOCK-ZINC04567767

 MMsINC code: MMs00557164
Type: Neutral
Formula: C16H25NO2
SMILES:   Oc1c(cc(cc1C(C)(C)C)/C(=N\O)/C)C(C)(C)C
InChI:   InChI=1/C16H25NO2/c1-10(17-19)11-8-12(15(2,3)4)14(18)13(9-11)16(5,6)7/h8-9,18-19H,1-7H3/b17-10+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=114.597 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 263.381 g/mol  logS: -4.56268  SlogP: 4.1854  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.151374  Sterimol/B1: 3.48149  Sterimol/B2: 3.56599  Sterimol/B3: 3.68313
  Sterimol/B4: 8.24754  Sterimol/L: 12.0987 
 
 Surface and Volume Properties
  Accessible surface: 503.667  Positive charged surface: 337.527  Negative charged surface: 166.14  Volume: 283.5
  Hydrophobic surface: 318.515  Hydrophilic surface: 185.152
 
 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.