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CHEMBRIDGE-ZINC02435576

 MMsINC code: MMs00709071
Type: Neutral
Formula: C19H28N4O2
SMILES:   O1CCN(CC1)CCc1nc2cc(NC(=O)CCCC)ccc2n1C
InChI:   InChI=1/C19H28N4O2/c1-3-4-5-19(24)20-15-6-7-17-16(14-15)21-18(22(17)2)8-9-23-10-12-25-13-11-23/h6-7,14H,3-5,8-13H2,1-2H3,(H,20,24)

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Potential Energy
Epot(MMFF94)=71.6508 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.459 g/mol  logS: -3.19647  SlogP: 2.93587  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0327265  Sterimol/B1: 2.13807  Sterimol/B2: 3.2156  Sterimol/B3: 3.65762
  Sterimol/B4: 8.72084  Sterimol/L: 19.8263 
 
 Surface and Volume Properties
  Accessible surface: 661.841  Positive charged surface: 529.767  Negative charged surface: 132.075  Volume: 350.75
  Hydrophobic surface: 558.243  Hydrophilic surface: 103.598
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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


MMs00709072
CHEMBRIDGE-ZINC02435576