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ASINEX-ZINC04217906

 MMsINC code: MMs00318864
Type: Neutral
Formula: C19H23N5O4
SMILES:   o1nc(C(=O)N)c(N)c1C(=O)N(Cc1ccccc1)CC(=O)NC1CCCC1
InChI:   InChI=1/C19H23N5O4/c20-15-16(18(21)26)23-28-17(15)19(27)24(10-12-6-2-1-3-7-12)11-14(25)22-13-8-4-5-9-13/h1-3,6-7,13H,4-5,8-11,20H2,(H2,21,26)(H,22,25)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=94.6908 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 385.424 g/mol  logS: -3.2466  SlogP: 1.3233  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.101672  Sterimol/B1: 2.58882  Sterimol/B2: 2.7628  Sterimol/B3: 4.84061
  Sterimol/B4: 11.066  Sterimol/L: 16.0996 
 
 Surface and Volume Properties
  Accessible surface: 652.04  Positive charged surface: 442.942  Negative charged surface: 209.098  Volume: 358.375
  Hydrophobic surface: 416.422  Hydrophilic surface: 235.618
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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.