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ASINEX-ZINC00298732

 MMsINC code: MMs00112868
Type: Neutral
Formula: C11H18N2O2
SMILES:   O=C1N(CN2CCC(CC2)C)C(=O)CC1
InChI:   InChI=1/C11H18N2O2/c1-9-4-6-12(7-5-9)8-13-10(14)2-3-11(13)15/h9H,2-8H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-10.4033 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.277 g/mol  logS: -0.82987  SlogP: 0.8248  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.12689  Sterimol/B1: 2.85299  Sterimol/B2: 2.91523  Sterimol/B3: 4.2198
  Sterimol/B4: 4.80818  Sterimol/L: 12.8544 
 
 Surface and Volume Properties
  Accessible surface: 423.621  Positive charged surface: 313.786  Negative charged surface: 109.836  Volume: 212.5
  Hydrophobic surface: 320.855  Hydrophilic surface: 102.766
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.