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IBS-ZINC02393177

 MMsINC code: MMs01849330
Type: Neutral
Formula: C14H26N2O3
SMILES:   O(C(=O)C(NC(=O)N1CCCCC1C)C(CC)C)C
InChI:   InChI=1/C14H26N2O3/c1-5-10(2)12(13(17)19-4)15-14(18)16-9-7-6-8-11(16)3/h10-12H,5-9H2,1-4H3,(H,15,18)/t10-,11-,12+/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=56.4618 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.373 g/mol  logS: -2.23384  SlogP: 2.1581  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.173528  Sterimol/B1: 2.23934  Sterimol/B2: 3.94842  Sterimol/B3: 4.31783
  Sterimol/B4: 7.38074  Sterimol/L: 14.1403 
 
 Surface and Volume Properties
  Accessible surface: 506.908  Positive charged surface: 397.095  Negative charged surface: 109.813  Volume: 277
  Hydrophobic surface: 408.547  Hydrophilic surface: 98.361
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.