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CHEMBLOCK-ZINC04721755

 MMsINC code: MMs00573460
Type: Neutral
Formula: C14H16N2O3
SMILES:   O(C)c1ccc(cc1)C1C2C(=O)NC(NC2=O)(C1)C
InChI:   InChI=1/C14H16N2O3/c1-14-7-10(8-3-5-9(19-2)6-4-8)11(12(17)15-14)13(18)16-14/h3-6,10-11H,7H2,1-2H3,(H,15,17)(H,16,18)/t10-,11-,14+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=47.3646 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.293 g/mol  logS: -2.32909  SlogP: 0.7609  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.134038  Sterimol/B1: 2.1836  Sterimol/B2: 2.29646  Sterimol/B3: 5.43804
  Sterimol/B4: 5.99641  Sterimol/L: 13.4654 
 
 Surface and Volume Properties
  Accessible surface: 457.869  Positive charged surface: 304.445  Negative charged surface: 153.424  Volume: 240.625
  Hydrophobic surface: 304.938  Hydrophilic surface: 152.931
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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


MMs00573462
CHEMBLOCK-ZINC04721755


MMs00573461
CHEMBLOCK-ZINC04721755