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ASINEX-ZINC00276103

 MMsINC code: MMs00106034
Type: Neutral
Formula: C14H16N2O3
SMILES:   OC=1c2c(NC(=O)C=1C(=O)NCC(C)C)cccc2
InChI:   InChI=1/C14H16N2O3/c1-8(2)7-15-13(18)11-12(17)9-5-3-4-6-10(9)16-14(11)19/h3-6,8H,7H2,1-2H3,(H,15,18)(H2,16,17,19)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=38.4373 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.293 g/mol  logS: -2.80218  SlogP: 1.68  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0669969  Sterimol/B1: 2.35572  Sterimol/B2: 3.65882  Sterimol/B3: 4.87767
  Sterimol/B4: 5.64797  Sterimol/L: 15.4932 
 
 Surface and Volume Properties
  Accessible surface: 493.147  Positive charged surface: 301.992  Negative charged surface: 191.156  Volume: 246.25
  Hydrophobic surface: 321.074  Hydrophilic surface: 172.073
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.