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RSCI-ZINC00155544

 MMsINC code: MMs03911476
Type: Neutral
Formula: C15H24N2O2
SMILES:   Oc1c(cc(cc1C(C)(C)C)C(NO)=N)C(C)(C)C
InChI:   InChI=1/C15H24N2O2/c1-14(2,3)10-7-9(13(16)17-19)8-11(12(10)18)15(4,5)6/h7-8,18-19H,1-6H3,(H2,16,17)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=123.239 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.369 g/mol  logS: -4.69146  SlogP: 3.29137  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.142629  Sterimol/B1: 3.6074  Sterimol/B2: 3.64364  Sterimol/B3: 5.34368
  Sterimol/B4: 6.11282  Sterimol/L: 11.7073 
 
 Surface and Volume Properties
  Accessible surface: 499.988  Positive charged surface: 321.274  Negative charged surface: 178.714  Volume: 273.375
  Hydrophobic surface: 257.35  Hydrophilic surface: 242.638
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.