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ASINEX-ZINC02414883

 MMsINC code: MMs00270994
Type: Neutral
Formula: C15H22N2O4
SMILES:   O(C)c1cc(ccc1OC)CCNC(=O)C(=O)NC(C)C
InChI:   InChI=1/C15H22N2O4/c1-10(2)17-15(19)14(18)16-8-7-11-5-6-12(20-3)13(9-11)21-4/h5-6,9-10H,7-8H2,1-4H3,(H,16,18)(H,17,19)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=77.7259 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 294.351 g/mol  logS: -2.52023  SlogP: 0.88707  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0378414  Sterimol/B1: 2.75221  Sterimol/B2: 3.06239  Sterimol/B3: 3.78385
  Sterimol/B4: 6.78613  Sterimol/L: 18.9224 
 
 Surface and Volume Properties
  Accessible surface: 594.075  Positive charged surface: 442.665  Negative charged surface: 151.409  Volume: 294.5
  Hydrophobic surface: 435.301  Hydrophilic surface: 158.774
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.