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CHEMDIV-ZINC00142821

 MMsINC code: MMs00834606
Type: Neutral
Formula: C14H26N2O2
SMILES:   O1C(CN(CC1C)CC(=O)NC1CCCCC1)C
InChI:   InChI=1/C14H26N2O2/c1-11-8-16(9-12(2)18-11)10-14(17)15-13-6-4-3-5-7-13/h11-13H,3-10H2,1-2H3,(H,15,17)/t11-,12-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=66.8276 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.374 g/mol  logS: -2.07804  SlogP: 1.5445  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0998151  Sterimol/B1: 2.52078  Sterimol/B2: 2.56113  Sterimol/B3: 4.9661
  Sterimol/B4: 6.20786  Sterimol/L: 14.7012 
 
 Surface and Volume Properties
  Accessible surface: 520.005  Positive charged surface: 418.245  Negative charged surface: 101.76  Volume: 267.875
  Hydrophobic surface: 431.893  Hydrophilic surface: 88.112
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.