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AURORAFEINCHEMIE-ZINC04871852

 MMsINC code: MMs00471640
Type: Neutral
Formula: C19H15FN2O3
SMILES:   Fc1cc2c([nH]c(C(O)=O)c2NC(=O)C2CC2c2ccccc2)cc1
InChI:   InChI=1/C19H15FN2O3/c20-11-6-7-15-14(8-11)16(17(21-15)19(24)25)22-18(23)13-9-12(13)10-4-2-1-3-5-10/h1-8,12-13,21H,9H2,(H,22,23)(H,24,25)/t12-,13-/m1/s1

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Potential Energy
Epot(MMFF94)=74.1472 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 338.338 g/mol  logS: -4.10519  SlogP: 3.7474  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.13653  Sterimol/B1: 3.20698  Sterimol/B2: 3.99514  Sterimol/B3: 4.90406
  Sterimol/B4: 7.28611  Sterimol/L: 12.2642 
 
 Surface and Volume Properties
  Accessible surface: 543.774  Positive charged surface: 312.996  Negative charged surface: 225.932  Volume: 302.25
  Hydrophobic surface: 388.767  Hydrophilic surface: 155.007
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs00471641
AURORAFEINCHEMIE-ZINC04871852