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ASINEX-ZINC00261827

 MMsINC code: MMs00102004
Type: Neutral
Formula: C15H20N2O4
SMILES:   OC(=O)c1cc(NC(=O)CCC)c(NC(=O)CCC)cc1
InChI:   InChI=1/C15H20N2O4/c1-3-5-13(18)16-11-8-7-10(15(20)21)9-12(11)17-14(19)6-4-2/h7-9H,3-6H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=61.24 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 292.335 g/mol  logS: -3.20716  SlogP: 2.862  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0260624  Sterimol/B1: 2.58457  Sterimol/B2: 2.90685  Sterimol/B3: 3.32132
  Sterimol/B4: 10.0589  Sterimol/L: 16.0335 
 
 Surface and Volume Properties
  Accessible surface: 567.375  Positive charged surface: 389.992  Negative charged surface: 177.383  Volume: 282
  Hydrophobic surface: 351.803  Hydrophilic surface: 215.572
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs00102005
ASINEX-ZINC00261827