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ASINEX-ZINC04183038

 MMsINC code: MMs00315784
Type: Neutral
Formula: C13H21NO4
SMILES:   O1CCCC1CNC(=O)C1CCCCC1C(O)=O
InChI:   InChI=1/C13H21NO4/c15-12(14-8-9-4-3-7-18-9)10-5-1-2-6-11(10)13(16)17/h9-11H,1-8H2,(H,14,15)(H,16,17)/t9-,10-,11+/m0/s1

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Potential Energy
Epot(MMFF94)=34.1367 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 255.314 g/mol  logS: -1.54975  SlogP: 1.1726  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.10221  Sterimol/B1: 2.56613  Sterimol/B2: 3.04968  Sterimol/B3: 3.69002
  Sterimol/B4: 7.20014  Sterimol/L: 13.4559 
 
 Surface and Volume Properties
  Accessible surface: 483.41  Positive charged surface: 373.672  Negative charged surface: 109.738  Volume: 244.5
  Hydrophobic surface: 371.003  Hydrophilic surface: 112.407
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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


MMs00315785
ASINEX-ZINC04183038