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NCID-ZINC01621051

 MMsINC code: MMs02269005
Type: Neutral
Formula: C10H21NO
SMILES:   O=C(NCCCC)CCCCC
InChI:   InChI=1/C10H21NO/c1-3-5-7-8-10(12)11-9-6-4-2/h3-9H2,1-2H3,(H,11,12)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-3.25291 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 171.284 g/mol  logS: -2.5621  SlogP: 2.483  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.023602  Sterimol/B1: 2.26303  Sterimol/B2: 2.37526  Sterimol/B3: 2.37601
  Sterimol/B4: 3.64053  Sterimol/L: 17.1462 
 
 Surface and Volume Properties
  Accessible surface: 450.962  Positive charged surface: 358.186  Negative charged surface: 92.7765  Volume: 205.5
  Hydrophobic surface: 355.672  Hydrophilic surface: 95.29
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.