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NCID-ZINC01705694

 MMsINC code: MMs02334182
Type: Neutral
Formula: C8H17NO
SMILES:   O=CN(CCCCCC)C
InChI:   InChI=1/C8H17NO/c1-3-4-5-6-7-9(2)8-10/h8H,3-7H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=0.873578 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 143.23 g/mol  logS: -1.62804  SlogP: 1.6549  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0797633  Sterimol/B1: 2.27175  Sterimol/B2: 3.30685  Sterimol/B3: 3.5144
  Sterimol/B4: 3.82377  Sterimol/L: 13.1662 
 
 Surface and Volume Properties
  Accessible surface: 383.087  Positive charged surface: 311.19  Negative charged surface: 71.8973  Volume: 169.5
  Hydrophobic surface: 302.433  Hydrophilic surface: 80.654
 
 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.