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NANOSIN-ZINC04644588

 MMsINC code: MMs02208446
Type: Neutral
Formula: C20H12Cl2N2O3
SMILES:   Clc1c(cccc1Cl)\C=C/1\N=C(OC\1=O)c1c(noc1C)-c1ccccc1
InChI:   InChI=1/C20H12Cl2N2O3/c1-11-16(18(24-27-11)12-6-3-2-4-7-12)19-23-15(20(25)26-19)10-13-8-5-9-14(21)17(13)22/h2-10H,1H3/b15-10-

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Potential Energy
Epot(MMFF94)=112.299 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 399.233 g/mol  logS: -7.88051  SlogP: 5.30132  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.244717  Sterimol/B1: 2.10369  Sterimol/B2: 4.02592  Sterimol/B3: 6.09657
  Sterimol/B4: 9.67098  Sterimol/L: 15.2471 
 
 Surface and Volume Properties
  Accessible surface: 622.241  Positive charged surface: 244.951  Negative charged surface: 377.29  Volume: 338.875
  Hydrophobic surface: 531.581  Hydrophilic surface: 90.66
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.