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IBS-ZINC02235321

 MMsINC code: MMs01811519
Type: Neutral
Formula: C14H27N3O4
SMILES:   O1CCN(CC1)CCCNC(=O)NC(CC(C)C)C(O)=O
InChI:   InChI=1/C14H27N3O4/c1-11(2)10-12(13(18)19)16-14(20)15-4-3-5-17-6-8-21-9-7-17/h11-12H,3-10H2,1-2H3,(H,18,19)(H2,15,16,20)/t12-/m0/s1

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Potential Energy
Epot(MMFF94)=27.8084 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 301.387 g/mol  logS: -1.55073  SlogP: 0.5072  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0438702  Sterimol/B1: 2.43669  Sterimol/B2: 2.73596  Sterimol/B3: 4.0723
  Sterimol/B4: 7.53486  Sterimol/L: 17.6715 
 
 Surface and Volume Properties
  Accessible surface: 599.099  Positive charged surface: 469.242  Negative charged surface: 129.858  Volume: 301.125
  Hydrophobic surface: 398.374  Hydrophilic surface: 200.725
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.