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PUBCHEM-ZINC05424586

 MMsINC code: MMs03266062
Type: Neutral
Formula: C10H15N3O3
SMILES:   OCCN(C)c1cc([N+](=O)[O-])c(NC)cc1
InChI:   InChI=1/C10H15N3O3/c1-11-9-4-3-8(12(2)5-6-14)7-10(9)13(15)16/h3-4,7,11,14H,5-6H2,1-2H3

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Potential Energy
Epot(MMFF94)=89.7317 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 225.248 g/mol  logS: -1.69644  SlogP: 1.065  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0676419  Sterimol/B1: 2.32601  Sterimol/B2: 2.96413  Sterimol/B3: 3.33883
  Sterimol/B4: 6.60915  Sterimol/L: 12.6562 
 
 Surface and Volume Properties
  Accessible surface: 431.389  Positive charged surface: 311.303  Negative charged surface: 120.086  Volume: 211.625
  Hydrophobic surface: 290.255  Hydrophilic surface: 141.134
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.