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NCID-ZINC05086444

 MMsINC code: MMs02439429
Type: Neutral
Formula: C18H16Cl2N4O7
SMILES:   Clc1nc(Cl)nc2n(cc(c12)C#N)C1OC(COC(=O)C)C(OC(=O)C)C1OC(=O)C
InChI:   InChI=1/C18H16Cl2N4O7/c1-7(25)28-6-11-13(29-8(2)26)14(30-9(3)27)17(31-11)24-5-10(4-21)12-15(19)22-18(20)23-16(12)24/h5,11,13-14,17H,6H2,1-3H3/t11-,13+,14-,17+/m0/s1

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Potential Energy
Epot(MMFF94)=94.2527 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 471.253 g/mol  logS: -5.86002  SlogP: 2.02918  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0877702  Sterimol/B1: 3.3969  Sterimol/B2: 3.4614  Sterimol/B3: 4.96552
  Sterimol/B4: 9.06718  Sterimol/L: 15.9996 
 
 Surface and Volume Properties
  Accessible surface: 666.543  Positive charged surface: 311.305  Negative charged surface: 350.585  Volume: 378.25
  Hydrophobic surface: 435.511  Hydrophilic surface: 231.032
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.