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MAYBRIDGE-ZINC04394307

 MMsINC code: MMs02174496
Type: Neutral
Formula: C10H16N4O3
SMILES:   o1nc(cc1C)C(=O)NNC(=O)NCCCC
InChI:   InChI=1/C10H16N4O3/c1-3-4-5-11-10(16)13-12-9(15)8-6-7(2)17-14-8/h6H,3-5H2,1-2H3,(H,12,15)(H2,11,13,16)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=33.6418 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 240.263 g/mol  logS: -1.81358  SlogP: 0.72712  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0137348  Sterimol/B1: 2.05175  Sterimol/B2: 2.375  Sterimol/B3: 2.51331
  Sterimol/B4: 7.21146  Sterimol/L: 16.4799 
 
 Surface and Volume Properties
  Accessible surface: 498.228  Positive charged surface: 307.525  Negative charged surface: 190.703  Volume: 224
  Hydrophobic surface: 313.847  Hydrophilic surface: 184.381
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.