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NCID-ZINC04691789

 MMsINC code: MMs02393430
Type: Neutral
Formula: C10H19NO
SMILES:   O=C(N)CC1CCCCCCC1
InChI:   InChI=1/C10H19NO/c11-10(12)8-9-6-4-2-1-3-5-7-9/h9H,1-8H2,(H2,11,12)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=71.6086 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 169.268 g/mol  logS: -3.58273  SlogP: 2.2223  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.142799  Sterimol/B1: 2.85675  Sterimol/B2: 3.10184  Sterimol/B3: 3.2221
  Sterimol/B4: 4.79277  Sterimol/L: 11.2111 
 
 Surface and Volume Properties
  Accessible surface: 367.769  Positive charged surface: 282.486  Negative charged surface: 85.2826  Volume: 183.5
  Hydrophobic surface: 271.892  Hydrophilic surface: 95.877
 
 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.