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ASINEX-ZINC02845451

 MMsINC code: MMs00279169
Type: Neutral
Formula: C15H18N2O4
SMILES:   O(C(=O)c1c2c(n(c1)CC(=O)NCCOC)cccc2)C
InChI:   InChI=1/C15H18N2O4/c1-20-8-7-16-14(18)10-17-9-12(15(19)21-2)11-5-3-4-6-13(11)17/h3-6,9H,7-8,10H2,1-2H3,(H,16,18)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=52.2333 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.319 g/mol  logS: -2.26573  SlogP: 1.4569  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0416288  Sterimol/B1: 2.80589  Sterimol/B2: 3.64458  Sterimol/B3: 5.5007
  Sterimol/B4: 6.13174  Sterimol/L: 16.8693 
 
 Surface and Volume Properties
  Accessible surface: 563.346  Positive charged surface: 416.343  Negative charged surface: 141.442  Volume: 281.375
  Hydrophobic surface: 466.488  Hydrophilic surface: 96.858
 
 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.