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ENAMINE-ZINC02654625

 MMsINC code: MMs01277906
Type: Neutral
Formula: C10H18N4O2
SMILES:   O=C1NC(=O)N(CCN(CC)CC)C(N)=C1
InChI:   InChI=1/C10H18N4O2/c1-3-13(4-2)5-6-14-8(11)7-9(15)12-10(14)16/h7H,3-6,11H2,1-2H3,(H,12,15,16)

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Potential Energy
Epot(MMFF94)=-7.22218 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 226.28 g/mol  logS: -0.90549  SlogP: -0.3199  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.107019  Sterimol/B1: 2.09589  Sterimol/B2: 2.74193  Sterimol/B3: 3.95344
  Sterimol/B4: 6.52101  Sterimol/L: 13.2923 
 
 Surface and Volume Properties
  Accessible surface: 444.916  Positive charged surface: 311.838  Negative charged surface: 133.078  Volume: 219.75
  Hydrophobic surface: 230.995  Hydrophilic surface: 213.921
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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


MMs01277907
ENAMINE-ZINC02654625