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CHEMDIV-ZINC00266954

 MMsINC code: MMs00848480
Type: Neutral
Formula: C14H18N2O4
SMILES:   O1CCN(CC1)c1ccc(NC(=O)CCC(O)=O)cc1
InChI:   InChI=1/C14H18N2O4/c17-13(5-6-14(18)19)15-11-1-3-12(4-2-11)16-7-9-20-10-8-16/h1-4H,5-10H2,(H,15,17)(H,18,19)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=112.066 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 278.308 g/mol  logS: -1.56554  SlogP: 1.3265  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0260047  Sterimol/B1: 2.96558  Sterimol/B2: 2.98842  Sterimol/B3: 3.32859
  Sterimol/B4: 4.85282  Sterimol/L: 17.7947 
 
 Surface and Volume Properties
  Accessible surface: 516.116  Positive charged surface: 371.595  Negative charged surface: 144.52  Volume: 261.875
  Hydrophobic surface: 351.796  Hydrophilic surface: 164.32
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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


MMs00848481
CHEMDIV-ZINC00266954