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ASINEX-ZINC03099666

 MMsINC code: MMs00285960
Type: Neutral
Formula: C10H18ClN5
SMILES:   Clc1nc(nc(n1)NCCC)NC(C)(C)C
InChI:   InChI=1/C10H18ClN5/c1-5-6-12-8-13-7(11)14-9(15-8)16-10(2,3)4/h5-6H2,1-4H3,(H2,12,13,14,15,16)

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Potential Energy
Epot(MMFF94)=-44.6433 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 243.742 g/mol  logS: -4.09324  SlogP: 2.5573  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0474725  Sterimol/B1: 3.47827  Sterimol/B2: 3.6239  Sterimol/B3: 3.62393
  Sterimol/B4: 5.60365  Sterimol/L: 15.6296 
 
 Surface and Volume Properties
  Accessible surface: 485.861  Positive charged surface: 317.298  Negative charged surface: 168.562  Volume: 238
  Hydrophobic surface: 321.055  Hydrophilic surface: 164.806
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.