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NCID-ZINC05201770

 MMsINC code: MMs02447677
Type: Neutral
Formula: C10H19NO
SMILES:   O=C(NC1CCCCCCC1)C
InChI:   InChI=1/C10H19NO/c1-9(12)11-10-7-5-3-2-4-6-8-10/h10H,2-8H2,1H3,(H,11,12)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=67.3852 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 169.268 g/mol  logS: -2.27205  SlogP: 2.2354  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.224676  Sterimol/B1: 2.9066  Sterimol/B2: 3.88001  Sterimol/B3: 4.14833
  Sterimol/B4: 4.30342  Sterimol/L: 11.0216 
 
 Surface and Volume Properties
  Accessible surface: 376.812  Positive charged surface: 275.268  Negative charged surface: 101.544  Volume: 185.5
  Hydrophobic surface: 333.411  Hydrophilic surface: 43.401
 
 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.