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IBS-ZINC00546289

 MMsINC code: MMs01752577
Type: Neutral
Formula: C14H26N2O3
SMILES:   OC(=O)C(NC(=O)NC1CCCCC1C)CC(C)C
InChI:   InChI=1/C14H26N2O3/c1-9(2)8-12(13(17)18)16-14(19)15-11-7-5-4-6-10(11)3/h9-12H,4-8H2,1-3H3,(H,17,18)(H2,15,16,19)/t10-,11+,12+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=9.40032 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.373 g/mol  logS: -2.8325  SlogP: 2.3636  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.105359  Sterimol/B1: 2.28804  Sterimol/B2: 2.88121  Sterimol/B3: 4.26343
  Sterimol/B4: 8.12315  Sterimol/L: 13.9415 
 
 Surface and Volume Properties
  Accessible surface: 523.583  Positive charged surface: 374.875  Negative charged surface: 148.708  Volume: 278.125
  Hydrophobic surface: 347.848  Hydrophilic surface: 175.735
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs01752578
IBS-ZINC00546289