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CHEMDIV-ZINC00220576

 MMsINC code: MMs00843370
Type: Neutral
Formula: C19H32N2O2
SMILES:   O=C1N(CC(C1)C(=O)NC1CCC(CC1)C)C1CCCCCC1
InChI:   InChI=1/C19H32N2O2/c1-14-8-10-16(11-9-14)20-19(23)15-12-18(22)21(13-15)17-6-4-2-3-5-7-17/h14-17H,2-13H2,1H3,(H,20,23)/t14-,15-,16+/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=37.1022 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 320.477 g/mol  logS: -3.58965  SlogP: 3.2526  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.105726  Sterimol/B1: 2.14051  Sterimol/B2: 4.00621  Sterimol/B3: 4.82029
  Sterimol/B4: 6.11523  Sterimol/L: 16.4612 
 
 Surface and Volume Properties
  Accessible surface: 581.587  Positive charged surface: 445.268  Negative charged surface: 136.319  Volume: 338
  Hydrophobic surface: 507.223  Hydrophilic surface: 74.364
 
 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.