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ASINEX-ZINC00114840

 MMsINC code: MMs00077077
Type: Neutral
Formula: C18H11NO3
SMILES:   Oc1cc(N2C(=O)c3c4c(cccc4ccc3)C2=O)ccc1
InChI:   InChI=1/C18H11NO3/c20-13-7-3-6-12(10-13)19-17(21)14-8-1-4-11-5-2-9-15(16(11)14)18(19)22/h1-10,20H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=93.4555 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 289.29 g/mol  logS: -5.27452  SlogP: 3.346  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0822571  Sterimol/B1: 2.4305  Sterimol/B2: 3.87117  Sterimol/B3: 3.89
  Sterimol/B4: 7.26929  Sterimol/L: 14.2284 
 
 Surface and Volume Properties
  Accessible surface: 480.343  Positive charged surface: 253.648  Negative charged surface: 217.423  Volume: 262.75
  Hydrophobic surface: 370.122  Hydrophilic surface: 110.221
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.