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COMGENEX-ZINC04927476

 MMsINC code: MMs01170355
Type: Neutral
Formula: C19H30N2O3
SMILES:   o1cc(cc1)C(=O)N(CCCCC)CCC(=O)NC1CCCCC1
InChI:   InChI=1/C19H30N2O3/c1-2-3-7-12-21(19(23)16-11-14-24-15-16)13-10-18(22)20-17-8-5-4-6-9-17/h11,14-15,17H,2-10,12-13H2,1H3,(H,20,22)

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Potential Energy
Epot(MMFF94)=61.6075 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 334.46 g/mol  logS: -4.10872  SlogP: 3.751  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0434924  Sterimol/B1: 2.3193  Sterimol/B2: 3.28465  Sterimol/B3: 3.40829
  Sterimol/B4: 10.1137  Sterimol/L: 17.8041 
 
 Surface and Volume Properties
  Accessible surface: 654.004  Positive charged surface: 446.279  Negative charged surface: 207.726  Volume: 348.125
  Hydrophobic surface: 551.126  Hydrophilic surface: 102.878
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: no related molecules available.