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NCID-ZINC01584359

 MMsINC code: MMs02241047
Type: Neutral
Formula: C10H18N2O2
SMILES:   O=C1N(CCN(CC)CC)C(=O)CC1
InChI:   InChI=1/C10H18N2O2/c1-3-11(4-2)7-8-12-9(13)5-6-10(12)14/h3-8H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=4.50405 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 198.266 g/mol  logS: -0.50942  SlogP: 0.4772  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0909103  Sterimol/B1: 2.20302  Sterimol/B2: 3.10168  Sterimol/B3: 3.43916
  Sterimol/B4: 6.42645  Sterimol/L: 12.0591 
 
 Surface and Volume Properties
  Accessible surface: 426.831  Positive charged surface: 302.31  Negative charged surface: 124.521  Volume: 204.5
  Hydrophobic surface: 305.852  Hydrophilic surface: 120.979
 
 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


MMs02241048
NCID-ZINC01584359