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IBS-ZINC00539360

 MMsINC code: MMs01750390
Type: Neutral
Formula: C14H26N2O3
SMILES:   OC(=O)C(NC(=O)NC1CCC(CC1)C)CC(C)C
InChI:   InChI=1/C14H26N2O3/c1-9(2)8-12(13(17)18)16-14(19)15-11-6-4-10(3)5-7-11/h9-12H,4-8H2,1-3H3,(H,17,18)(H2,15,16,19)/t10-,11+,12-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=8.92638 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.373 g/mol  logS: -3.14595  SlogP: 2.3636  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.111694  Sterimol/B1: 2.63406  Sterimol/B2: 2.8369  Sterimol/B3: 4.45121
  Sterimol/B4: 7.14624  Sterimol/L: 13.3713 
 
 Surface and Volume Properties
  Accessible surface: 530.129  Positive charged surface: 378.297  Negative charged surface: 151.831  Volume: 279.875
  Hydrophobic surface: 344.581  Hydrophilic surface: 185.548
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 3  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


MMs01750391
IBS-ZINC00539360