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NCID-ZINC01577349

 MMsINC code: MMs02235614
Type: Neutral
Formula: C10H15N5
SMILES:   n1cnc2n(ncc2c1N(C(C)C)C)C
InChI:   InChI=1/C10H15N5/c1-7(2)14(3)9-8-5-13-15(4)10(8)12-6-11-9/h5-7H,1-4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=90.1355 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 205.265 g/mol  logS: -2.12206  SlogP: 1.5671  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0798998  Sterimol/B1: 2.33722  Sterimol/B2: 3.57129  Sterimol/B3: 4.2627
  Sterimol/B4: 5.36117  Sterimol/L: 12.7707 
 
 Surface and Volume Properties
  Accessible surface: 414.32  Positive charged surface: 339.086  Negative charged surface: 71.3452  Volume: 206.25
  Hydrophobic surface: 306.003  Hydrophilic surface: 108.317
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.