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PUBCHEM-ZINC05849839

 MMsINC code: MMs03416099
Type: Neutral
Formula: C11H19N5O2
SMILES:   O=C1N2C(CCC2)C(=O)NC1CCCN=C(N)N
InChI:   InChI=1/C11H19N5O2/c12-11(13)14-5-1-3-7-10(18)16-6-2-4-8(16)9(17)15-7/h7-8H,1-6H2,(H,15,17)(H4,12,13,14)/t7-,8-/m0/s1

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Potential Energy
Epot(MMFF94)=46.4599 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 253.306 g/mol  logS: -1.25499  SlogP: -1.4706  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0659563  Sterimol/B1: 2.48599  Sterimol/B2: 4.2504  Sterimol/B3: 4.31559
  Sterimol/B4: 4.38481  Sterimol/L: 15.5333 
 
 Surface and Volume Properties
  Accessible surface: 488.498  Positive charged surface: 373.319  Negative charged surface: 115.179  Volume: 238.125
  Hydrophobic surface: 255.941  Hydrophilic surface: 232.557
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs03416100
PUBCHEM-ZINC05849839