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NCID-ZINC01733448

 MMsINC code: MMs02355919
Type: Neutral
Formula: C10H19NO
SMILES:   O=C(N1CCCCC1)CCCC
InChI:   InChI=1/C10H19NO/c1-2-3-7-10(12)11-8-5-4-6-9-11/h2-9H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=6.55643 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 169.268 g/mol  logS: -1.65084  SlogP: 2.1891  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.062988  Sterimol/B1: 2.79167  Sterimol/B2: 3.39832  Sterimol/B3: 3.74403
  Sterimol/B4: 4.03504  Sterimol/L: 13.3358 
 
 Surface and Volume Properties
  Accessible surface: 401.107  Positive charged surface: 323.498  Negative charged surface: 77.6085  Volume: 192.5
  Hydrophobic surface: 348.322  Hydrophilic surface: 52.785
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.