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CHEMDIV-ZINC06826618

 MMsINC code: MMs01044968
Type: Neutral
Formula: C15H12ClN3O4
SMILES:   Clc1cc2N(C)C(=O)C(=O)N(c2cc1NC(=O)c1occc1)C
InChI:   InChI=1/C15H12ClN3O4/c1-18-10-6-8(16)9(17-13(20)12-4-3-5-23-12)7-11(10)19(2)15(22)14(18)21/h3-7H,1-2H3,(H,17,20)

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Potential Energy
Epot(MMFF94)=102.287 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 333.731 g/mol  logS: -4.18177  SlogP: 2.1245  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0176075  Sterimol/B1: 2.09791  Sterimol/B2: 2.24811  Sterimol/B3: 3.00869
  Sterimol/B4: 8.52907  Sterimol/L: 15.9712 
 
 Surface and Volume Properties
  Accessible surface: 527.712  Positive charged surface: 292.37  Negative charged surface: 235.342  Volume: 278.875
  Hydrophobic surface: 398.372  Hydrophilic surface: 129.34
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.