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NANOSIN-ZINC04738119

 MMsINC code: MMs02210415
Type: Neutral
Formula: C10H21N3O2
SMILES:   O\N=C(/C=N/O)\CCCCCCN(C)C
InChI:   InChI=1/C10H21N3O2/c1-13(2)8-6-4-3-5-7-10(12-15)9-11-14/h9,14-15H,3-8H2,1-2H3/b11-9+,12-10+

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Potential Energy
Epot(MMFF94)=55.305 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 215.297 g/mol  logS: -0.48522  SlogP: 1.7887  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0564326  Sterimol/B1: 2.24122  Sterimol/B2: 2.7829  Sterimol/B3: 3.94467
  Sterimol/B4: 5.78433  Sterimol/L: 16.967 
 
 Surface and Volume Properties
  Accessible surface: 499.249  Positive charged surface: 403.928  Negative charged surface: 95.3201  Volume: 229
  Hydrophobic surface: 325.321  Hydrophilic surface: 173.928
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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


MMs02210416
NANOSIN-ZINC04738119