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CHEMBRIDGE-ZINC00472565

 MMsINC code: MMs00627651
Type: Neutral
Formula: C16H10ClNO4
SMILES:   Clc1ccc(cc1)C(OCN1C(=O)c2c(cccc2)C1=O)=O
InChI:   InChI=1/C16H10ClNO4/c17-11-7-5-10(6-8-11)16(21)22-9-18-14(19)12-3-1-2-4-13(12)15(18)20/h1-8H,9H2

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Potential Energy
Epot(MMFF94)=60.7042 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 315.712 g/mol  logS: -4.55059  SlogP: 2.7505  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.101955  Sterimol/B1: 2.67343  Sterimol/B2: 3.49159  Sterimol/B3: 4.83939
  Sterimol/B4: 5.3808  Sterimol/L: 16.1536 
 
 Surface and Volume Properties
  Accessible surface: 528.178  Positive charged surface: 251.295  Negative charged surface: 276.883  Volume: 269.875
  Hydrophobic surface: 423.866  Hydrophilic surface: 104.312
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.