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ASINEX-ZINC00852568

 MMsINC code: MMs00193216
Type: Neutral
Formula: C20H18N2O4
SMILES:   O1CCCC1CNC(=O)c1cc(N2C(=O)c3c(cccc3)C2=O)ccc1
InChI:   InChI=1/C20H18N2O4/c23-18(21-12-15-7-4-10-26-15)13-5-3-6-14(11-13)22-19(24)16-8-1-2-9-17(16)20(22)25/h1-3,5-6,8-9,11,15H,4,7,10,12H2,(H,21,23)/t15-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=92.2898 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 350.374 g/mol  logS: -4.59974  SlogP: 2.396  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0142985  Sterimol/B1: 3.1714  Sterimol/B2: 3.28303  Sterimol/B3: 4.05935
  Sterimol/B4: 5.76604  Sterimol/L: 20.1901 
 
 Surface and Volume Properties
  Accessible surface: 609.13  Positive charged surface: 371.971  Negative charged surface: 237.159  Volume: 324
  Hydrophobic surface: 487.115  Hydrophilic surface: 122.015
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.