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NCID-ZINC01733690

 MMsINC code: MMs02356080
Type: Neutral
Formula: C15H27NO5
SMILES:   O(C(=O)C(N(C(=O)C)CCC(OCC)=O)CC(C)C)CC
InChI:   InChI=1/C15H27NO5/c1-6-20-14(18)8-9-16(12(5)17)13(10-11(3)4)15(19)21-7-2/h11,13H,6-10H2,1-5H3/t13-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=49.9496 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 301.383 g/mol  logS: -2.57658  SlogP: 1.7659  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.176152  Sterimol/B1: 3.39472  Sterimol/B2: 5.2074  Sterimol/B3: 6.0673
  Sterimol/B4: 7.03801  Sterimol/L: 15.546 
 
 Surface and Volume Properties
  Accessible surface: 599.555  Positive charged surface: 423.653  Negative charged surface: 175.902  Volume: 310.5
  Hydrophobic surface: 435.3  Hydrophilic surface: 164.255
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: no related molecules available.