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VITASM-ZINC04741382

 MMsINC code: MMs03963875
Type: Neutral
Formula: C16H10ClNO3
SMILES:   Clc1cc(NC=C2C(=O)c3c(cccc3)C2=O)c(O)cc1
InChI:   InChI=1/C16H10ClNO3/c17-9-5-6-14(19)13(7-9)18-8-12-15(20)10-3-1-2-4-11(10)16(12)21/h1-8,18-19H

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Potential Energy
Epot(MMFF94)=83.9369 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 299.713 g/mol  logS: -4.38884  SlogP: 3.4206  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.00132311  Sterimol/B1: 2.12011  Sterimol/B2: 2.20273  Sterimol/B3: 4.62552
  Sterimol/B4: 4.67958  Sterimol/L: 16.1124 
 
 Surface and Volume Properties
  Accessible surface: 511.9  Positive charged surface: 228.159  Negative charged surface: 283.74  Volume: 259.875
  Hydrophobic surface: 381.765  Hydrophilic surface: 130.135
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.