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PUBCHEM-ZINC05112862

 MMsINC code: MMs03201276
Type: Neutral
Formula: C10H22Br2N2O4
SMILES:   BrCCNCC(O)C(O)C(O)C(O)CNCCBr
InChI:   InChI=1/C10H22Br2N2O4/c11-1-3-13-5-7(15)9(17)10(18)8(16)6-14-4-2-12/h7-10,13-18H,1-6H2/t7-,8-,9-,10-/m1/s1

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Potential Energy
Epot(MMFF94)=73.2803 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 394.104 g/mol  logS: -0.50132  SlogP: -1.601  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0424486  Sterimol/B1: 2.96549  Sterimol/B2: 3.35755  Sterimol/B3: 3.48927
  Sterimol/B4: 3.91858  Sterimol/L: 21.1023 
 
 Surface and Volume Properties
  Accessible surface: 591.926  Positive charged surface: 336.61  Negative charged surface: 255.316  Volume: 296.75
  Hydrophobic surface: 234.075  Hydrophilic surface: 357.851
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 6  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.