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CHEMBLOCK-ZINC04698041

 MMsINC code: MMs00570571
Type: Neutral
Formula: C15H18N2O4
SMILES:   O=C1NC(=O)N(COCCOCc2ccccc2)C(=C1)C
InChI:   InChI=1/C15H18N2O4/c1-12-9-14(18)16-15(19)17(12)11-21-8-7-20-10-13-5-3-2-4-6-13/h2-6,9H,7-8,10-11H2,1H3,(H,16,18,19)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=19.4101 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.319 g/mol  logS: -2.3719  SlogP: 1.8993  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.185654  Sterimol/B1: 2.29993  Sterimol/B2: 3.37804  Sterimol/B3: 5.8291
  Sterimol/B4: 6.19251  Sterimol/L: 12.8192 
 
 Surface and Volume Properties
  Accessible surface: 541.331  Positive charged surface: 345.257  Negative charged surface: 196.073  Volume: 277.625
  Hydrophobic surface: 401.867  Hydrophilic surface: 139.464
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.