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NCID-ZINC05217427

 MMsINC code: MMs02449815
Type: Neutral
Formula: C10H19NO
SMILES:   O=C(N1CCCCCC1)CCC
InChI:   InChI=1/C10H19NO/c1-2-7-10(12)11-8-5-3-4-6-9-11/h2-9H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=20.0203 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 169.268 g/mol  logS: -1.33739  SlogP: 2.1891  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.133628  Sterimol/B1: 2.73777  Sterimol/B2: 3.89101  Sterimol/B3: 3.90279
  Sterimol/B4: 4.12269  Sterimol/L: 11.9421 
 
 Surface and Volume Properties
  Accessible surface: 386.825  Positive charged surface: 306.611  Negative charged surface: 80.2141  Volume: 189.625
  Hydrophobic surface: 339.265  Hydrophilic surface: 47.56
 
 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.