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ASINEX-ZINC04476517

 MMsINC code: MMs00340081
Type: Neutral
Formula: C14H24N2O3
SMILES:   O1CCCC1CNC(=O)C(=O)NC1CCCCC1C
InChI:   InChI=1/C14H24N2O3/c1-10-5-2-3-7-12(10)16-14(18)13(17)15-9-11-6-4-8-19-11/h10-12H,2-9H2,1H3,(H,15,17)(H,16,18)/t10-,11+,12+/m1/s1

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Potential Energy
Epot(MMFF94)=49.076 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.357 g/mol  logS: -2.30361  SlogP: 0.9765  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0655297  Sterimol/B1: 2.08459  Sterimol/B2: 3.04786  Sterimol/B3: 3.83921
  Sterimol/B4: 6.76429  Sterimol/L: 16.2472 
 
 Surface and Volume Properties
  Accessible surface: 531.04  Positive charged surface: 406.457  Negative charged surface: 124.583  Volume: 270.875
  Hydrophobic surface: 419.765  Hydrophilic surface: 111.275
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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: no related molecules available.