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ASINEX-ZINC01381023

 MMsINC code: MMs00252897
Type: Neutral
Formula: C14H19NO5
SMILES:   O1CCCC1CNC(=O)C(OC(=O)c1occc1)CC
InChI:   InChI=1/C14H19NO5/c1-2-11(20-14(17)12-6-4-8-19-12)13(16)15-9-10-5-3-7-18-10/h4,6,8,10-11H,2-3,5,7,9H2,1H3,(H,15,16)/t10-,11-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=55.5423 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 281.308 g/mol  logS: -2.91475  SlogP: 1.5102  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0355121  Sterimol/B1: 2.39148  Sterimol/B2: 2.90867  Sterimol/B3: 3.43423
  Sterimol/B4: 6.69561  Sterimol/L: 17.7967 
 
 Surface and Volume Properties
  Accessible surface: 545.781  Positive charged surface: 360.486  Negative charged surface: 185.295  Volume: 267.75
  Hydrophobic surface: 436.179  Hydrophilic surface: 109.602
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.