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ENAMINE-ZINC03505915

 MMsINC code: MMs01479743
Type: Neutral
Formula: C15H22N2O3
SMILES:   O=C1N(CC(=O)NC2CCCC2)C(=O)C2C1CCCC2
InChI:   InChI=1/C15H22N2O3/c18-13(16-10-5-1-2-6-10)9-17-14(19)11-7-3-4-8-12(11)15(17)20/h10-12H,1-9H2,(H,16,18)/t11-,12+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=16.2873 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 278.352 g/mol  logS: -2.41754  SlogP: 1.2204  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0999245  Sterimol/B1: 2.9346  Sterimol/B2: 3.93208  Sterimol/B3: 4.16062
  Sterimol/B4: 5.68347  Sterimol/L: 14.6841 
 
 Surface and Volume Properties
  Accessible surface: 518.178  Positive charged surface: 383.312  Negative charged surface: 134.866  Volume: 272
  Hydrophobic surface: 413.918  Hydrophilic surface: 104.26
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.