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CHEMBRIDGE-ZINC00246221

 MMsINC code: MMs00598071
Type: Neutral
Formula: C10H19N5O
SMILES:   O(C)c1nc(nc(n1)NC(C)C)NC(C)C
InChI:   InChI=1/C10H19N5O/c1-6(2)11-8-13-9(12-7(3)4)15-10(14-8)16-5/h6-7H,1-5H3,(H2,11,12,13,14,15)

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Potential Energy
Epot(MMFF94)=-55.3461 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 225.296 g/mol  logS: -3.20756  SlogP: 1.5208  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0745305  Sterimol/B1: 2.16246  Sterimol/B2: 3.65477  Sterimol/B3: 4.60243
  Sterimol/B4: 6.36189  Sterimol/L: 14.1611 
 
 Surface and Volume Properties
  Accessible surface: 482.762  Positive charged surface: 375.227  Negative charged surface: 107.536  Volume: 230.875
  Hydrophobic surface: 302.089  Hydrophilic surface: 180.673
 
 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.