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PUBCHEM-ZINC04583060

 MMsINC code: MMs03137655
Type: Neutral
Formula: C11H20N2O2
SMILES:   O(N=C1CCCCC1)C(=O)NCCCC
InChI:   InChI=1/C11H20N2O2/c1-2-3-9-12-11(14)15-13-10-7-5-4-6-8-10/h2-9H2,1H3,(H,12,14)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=36.1994 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 212.293 g/mol  logS: -2.16208  SlogP: 2.8328  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0286871  Sterimol/B1: 3.01607  Sterimol/B2: 3.2405  Sterimol/B3: 3.35772
  Sterimol/B4: 4.54605  Sterimol/L: 16.5523 
 
 Surface and Volume Properties
  Accessible surface: 485.097  Positive charged surface: 371.785  Negative charged surface: 113.312  Volume: 221
  Hydrophobic surface: 382.547  Hydrophilic surface: 102.55
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.