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COMGENEX-ZINC04872907

 MMsINC code: MMs01164202
Type: Neutral
Formula: C18H30N2O3
SMILES:   o1cc(cc1)C(=O)N(CCCCCC)CCC(=O)NCCCC
InChI:   InChI=1/C18H30N2O3/c1-3-5-7-8-12-20(18(22)16-10-14-23-15-16)13-9-17(21)19-11-6-4-2/h10,14-15H,3-9,11-13H2,1-2H3,(H,19,21)

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Potential Energy
Epot(MMFF94)=55.411 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 322.449 g/mol  logS: -4.197  SlogP: 3.6085  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.036413  Sterimol/B1: 2.16805  Sterimol/B2: 2.55629  Sterimol/B3: 4.12516
  Sterimol/B4: 9.51552  Sterimol/L: 20.0465 
 
 Surface and Volume Properties
  Accessible surface: 659.942  Positive charged surface: 454.26  Negative charged surface: 205.682  Volume: 341.5
  Hydrophobic surface: 525.862  Hydrophilic surface: 134.08
 
 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.