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ASINEX-ZINC04578931

 MMsINC code: MMs00353643
Type: Neutral
Formula: C11H15N3O2
SMILES:   O=[N+]([O-])c1ccc(nc1)NC1CCCCC1
InChI:   InChI=1/C11H15N3O2/c15-14(16)10-6-7-11(12-8-10)13-9-4-2-1-3-5-9/h6-9H,1-5H2,(H,12,13)

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Potential Energy
Epot(MMFF94)=35.6581 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 221.26 g/mol  logS: -2.49583  SlogP: 2.7344  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0704587  Sterimol/B1: 2.60119  Sterimol/B2: 2.80871  Sterimol/B3: 3.83909
  Sterimol/B4: 4.39587  Sterimol/L: 14.1871 
 
 Surface and Volume Properties
  Accessible surface: 429.177  Positive charged surface: 275.126  Negative charged surface: 154.051  Volume: 210.375
  Hydrophobic surface: 305.429  Hydrophilic surface: 123.748
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.