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PUBCHEM-ZINC03803443

 MMsINC code: MMs03076769
Type: Neutral
Formula: C18H22N2O4
SMILES:   O(Cc1ccccc1)C(=O)N1CCCC1C(=O)N1CCCC1C=O
InChI:   InChI=1/C18H22N2O4/c21-12-15-8-4-10-19(15)17(22)16-9-5-11-20(16)18(23)24-13-14-6-2-1-3-7-14/h1-3,6-7,12,15-16H,4-5,8-11,13H2/t15-,16-/m0/s1

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Potential Energy
Epot(MMFF94)=65.1965 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 330.384 g/mol  logS: -2.70573  SlogP: 2.2439  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0865542  Sterimol/B1: 3.57145  Sterimol/B2: 4.0944  Sterimol/B3: 4.1544
  Sterimol/B4: 5.89222  Sterimol/L: 17.2915 
 
 Surface and Volume Properties
  Accessible surface: 604.911  Positive charged surface: 404.042  Negative charged surface: 200.869  Volume: 319.625
  Hydrophobic surface: 502.963  Hydrophilic surface: 101.948
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.