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CHEMDIV-ZINC06799759

 MMsINC code: MMs01028246
Type: Neutral
Formula: C15H20N4O2
SMILES:   O=C1N(N=Cn2c1ccc2)C(C(=O)NC1CCCCC1)C
InChI:   InChI=1/C15H20N4O2/c1-11(14(20)17-12-6-3-2-4-7-12)19-15(21)13-8-5-9-18(13)10-16-19/h5,8-12H,2-4,6-7H2,1H3,(H,17,20)/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=60.164 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.351 g/mol  logS: -2.52521  SlogP: 1.5727  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0851846  Sterimol/B1: 2.08588  Sterimol/B2: 2.14897  Sterimol/B3: 5.57008
  Sterimol/B4: 5.58423  Sterimol/L: 16.5735 
 
 Surface and Volume Properties
  Accessible surface: 535.107  Positive charged surface: 361.374  Negative charged surface: 173.733  Volume: 277
  Hydrophobic surface: 391.888  Hydrophilic surface: 143.219
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.