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PUBCHEM-ZINC00309151

 MMsINC code: MMs02652416
Type: Neutral
Formula: C16H14N2O3
SMILES:   o1cccc1\C=C(/NC(=O)\C=C\c1ccccc1)\C(=O)N
InChI:   InChI=1/C16H14N2O3/c17-16(20)14(11-13-7-4-10-21-13)18-15(19)9-8-12-5-2-1-3-6-12/h1-11H,(H2,17,20)(H,18,19)/b9-8+,14-11+

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Potential Energy
Epot(MMFF94)=67.3034 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.299 g/mol  logS: -4.40623  SlogP: 1.9354  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0102636  Sterimol/B1: 2.99626  Sterimol/B2: 3.13838  Sterimol/B3: 3.4685
  Sterimol/B4: 4.75865  Sterimol/L: 18.3737 
 
 Surface and Volume Properties
  Accessible surface: 540.519  Positive charged surface: 284.072  Negative charged surface: 256.447  Volume: 267.5
  Hydrophobic surface: 415.808  Hydrophilic surface: 124.711
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.