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PUBCHEM-ZINC03078701

 MMsINC code: MMs02990731
Type: Neutral
Formula: C10H13Cl3N4O5
SMILES:   ClC(Cl)(Cl)C(OC)NC(OCCn1c(ncc1[N+](=O)[O-])C)=O
InChI:   InChI=1/C10H13Cl3N4O5/c1-6-14-5-7(17(19)20)16(6)3-4-22-9(18)15-8(21-2)10(11,12)13/h5,8H,3-4H2,1-2H3,(H,15,18)/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=32.2521 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 375.596 g/mol  logS: -3.65741  SlogP: 2.85492  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0584945  Sterimol/B1: 2.57808  Sterimol/B2: 2.74361  Sterimol/B3: 4.43075
  Sterimol/B4: 7.73173  Sterimol/L: 15.7791 
 
 Surface and Volume Properties
  Accessible surface: 567.665  Positive charged surface: 257.84  Negative charged surface: 309.825  Volume: 288.375
  Hydrophobic surface: 266.096  Hydrophilic surface: 301.569
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.