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CHEMDIV-ZINC02943374

 MMsINC code: MMs00895944
Type: Neutral
Formula: C15H24N2O2
SMILES:   O=C1N(CC(C1)C(=O)NC1CC1)C1CCCCCC1
InChI:   InChI=1/C15H24N2O2/c18-14-9-11(15(19)16-12-7-8-12)10-17(14)13-5-3-1-2-4-6-13/h11-13H,1-10H2,(H,16,19)/t11-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=38.232 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.369 g/mol  logS: -2.15567  SlogP: 1.8363  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0768651  Sterimol/B1: 2.99479  Sterimol/B2: 4.03447  Sterimol/B3: 4.26573
  Sterimol/B4: 4.98286  Sterimol/L: 15.2486 
 
 Surface and Volume Properties
  Accessible surface: 515.454  Positive charged surface: 379.897  Negative charged surface: 135.557  Volume: 273.625
  Hydrophobic surface: 410.251  Hydrophilic surface: 105.203
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.