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MAYBRIDGE-ZINC02147513

 MMsINC code: MMs02158533
Type: Neutral
Formula: C10H19N3O2
SMILES:   O=C1NCCCCC1NC(=O)NC(C)C
InChI:   InChI=1/C10H19N3O2/c1-7(2)12-10(15)13-8-5-3-4-6-11-9(8)14/h7-8H,3-6H2,1-2H3,(H,11,14)(H2,12,13,15)/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=31.0193 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 213.281 g/mol  logS: -1.18547  SlogP: 0.3627  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.151057  Sterimol/B1: 2.66391  Sterimol/B2: 3.59557  Sterimol/B3: 4.45407
  Sterimol/B4: 5.14873  Sterimol/L: 12.021 
 
 Surface and Volume Properties
  Accessible surface: 436.793  Positive charged surface: 315.736  Negative charged surface: 121.057  Volume: 211.625
  Hydrophobic surface: 287.712  Hydrophilic surface: 149.081
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.