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ASINEX-ZINC04853127

 MMsINC code: MMs00382782
Type: Neutral
Formula: C15H20N2O4
SMILES:   O1CCN(CC1)CCNC(=O)c1ccc(OC(=O)C)cc1
InChI:   InChI=1/C15H20N2O4/c1-12(18)21-14-4-2-13(3-5-14)15(19)16-6-7-17-8-10-20-11-9-17/h2-5H,6-11H2,1H3,(H,16,19)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=82.201 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 292.335 g/mol  logS: -2.0739  SlogP: 0.6739  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0216571  Sterimol/B1: 2.80437  Sterimol/B2: 3.05083  Sterimol/B3: 3.30321
  Sterimol/B4: 5.12189  Sterimol/L: 18.8134 
 
 Surface and Volume Properties
  Accessible surface: 566.086  Positive charged surface: 402.05  Negative charged surface: 164.036  Volume: 283.25
  Hydrophobic surface: 462.852  Hydrophilic surface: 103.234
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs00382783
ASINEX-ZINC04853127