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NCID-ZINC01704795

 MMsINC code: MMs02333484
Type: Neutral
Formula: C14H20N2O3
SMILES:   O(C)c1c(cccc1OC)\C=N\NC(=O)CCCC
InChI:   InChI=1/C14H20N2O3/c1-4-5-9-13(17)16-15-10-11-7-6-8-12(18-2)14(11)19-3/h6-8,10H,4-5,9H2,1-3H3,(H,16,17)/b15-10+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=87.6377 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.325 g/mol  logS: -3.11058  SlogP: 2.3441  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0196841  Sterimol/B1: 2.57303  Sterimol/B2: 3.2669  Sterimol/B3: 3.57035
  Sterimol/B4: 5.89582  Sterimol/L: 17.2493 
 
 Surface and Volume Properties
  Accessible surface: 538.061  Positive charged surface: 423.636  Negative charged surface: 114.424  Volume: 268.125
  Hydrophobic surface: 436.813  Hydrophilic surface: 101.248
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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


MMs02333485
NCID-ZINC01704795