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ASINEX-ZINC00852569

 MMsINC code: MMs00193217
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-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=92.5158 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: 0.0114707  Sterimol/B1: 3.16375  Sterimol/B2: 3.22548  Sterimol/B3: 4.07898
  Sterimol/B4: 5.69303  Sterimol/L: 20.2624 
 
 Surface and Volume Properties
  Accessible surface: 608.397  Positive charged surface: 371.131  Negative charged surface: 237.266  Volume: 325
  Hydrophobic surface: 486.277  Hydrophilic surface: 122.12
 
 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.