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PUBCHEM-ZINC01567193

 MMsINC code: MMs02814695
Type: Neutral
Formula: C14H25N3O3
SMILES:   OCCCCCCCCCCCn1ccnc1[N+](=O)[O-]
InChI:   InChI=1/C14H25N3O3/c18-13-9-7-5-3-1-2-4-6-8-11-16-12-10-15-14(16)17(19)20/h10,12,18H,1-9,11,13H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=37.5738 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 283.372 g/mol  logS: -4.45572  SlogP: 3.5609  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0284967  Sterimol/B1: 2.097  Sterimol/B2: 2.96915  Sterimol/B3: 3.98858
  Sterimol/B4: 5.85608  Sterimol/L: 21.0335 
 
 Surface and Volume Properties
  Accessible surface: 595.475  Positive charged surface: 435.574  Negative charged surface: 159.901  Volume: 289.25
  Hydrophobic surface: 422.757  Hydrophilic surface: 172.718
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.