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CHEMBRIDGE-ZINC04749899

 MMsINC code: MMs00783447
Type: Neutral
Formula: C10H20N2O2
SMILES:   O(CC)C(=O)NC1CCN(CC1)CC
InChI:   InChI=1/C10H20N2O2/c1-3-12-7-5-9(6-8-12)11-10(13)14-4-2/h9H,3-8H2,1-2H3,(H,11,13)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-9.54229 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.282 g/mol  logS: -0.94462  SlogP: 1.2168  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0481616  Sterimol/B1: 2.38792  Sterimol/B2: 2.56435  Sterimol/B3: 3.46992
  Sterimol/B4: 5.20252  Sterimol/L: 15.7419 
 
 Surface and Volume Properties
  Accessible surface: 452.053  Positive charged surface: 363.508  Negative charged surface: 88.5455  Volume: 211.75
  Hydrophobic surface: 343.503  Hydrophilic surface: 108.55
 
 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


MMs00783448
CHEMBRIDGE-ZINC04749899