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NCID-ZINC01559492

 MMsINC code: MMs02222250
Type: Neutral
Formula: C10H22N4O2
SMILES:   O=C(NC(C(NC(=O)N)CCC)CCC)N
InChI:   InChI=1/C10H22N4O2/c1-3-5-7(13-9(11)15)8(6-4-2)14-10(12)16/h7-8H,3-6H2,1-2H3,(H3,11,13,15)(H3,12,14,16)/t7-,8-/m1/s1

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Potential Energy
Epot(MMFF94)=-26.4873 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.312 g/mol  logS: -1.9185  SlogP: 0.6604  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.124517  Sterimol/B1: 3.08412  Sterimol/B2: 3.28588  Sterimol/B3: 3.33857
  Sterimol/B4: 7.12641  Sterimol/L: 12.0675 
 
 Surface and Volume Properties
  Accessible surface: 472.384  Positive charged surface: 353.986  Negative charged surface: 118.398  Volume: 234.625
  Hydrophobic surface: 216.072  Hydrophilic surface: 256.312
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.