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NIH-ZINC06492876

 MMsINC code: MMs02537427
Type: Neutral
Formula: C14H23NO4
SMILES:   O1CCCC1C(CC(O)=O)C(=O)NC1CCCCC1
InChI:   InChI=1/C14H23NO4/c16-13(17)9-11(12-7-4-8-19-12)14(18)15-10-5-2-1-3-6-10/h10-12H,1-9H2,(H,15,18)(H,16,17)/t11-,12+/m1/s1

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Potential Energy
Epot(MMFF94)=17.5579 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.341 g/mol  logS: -1.56351  SlogP: 1.7052  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.088019  Sterimol/B1: 3.12781  Sterimol/B2: 3.25647  Sterimol/B3: 4.55731
  Sterimol/B4: 5.32311  Sterimol/L: 14.1796 
 
 Surface and Volume Properties
  Accessible surface: 503.653  Positive charged surface: 381.245  Negative charged surface: 122.408  Volume: 267.25
  Hydrophobic surface: 382.504  Hydrophilic surface: 121.149
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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


MMs02537428
NIH-ZINC06492876