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PUBCHEM-ZINC05817356

 MMsINC code: MMs03396574
Type: Neutral
Formula: C19H27N3O3
SMILES:   O=C1N2C(C3CC(CN(C3)C(=O)C(NC(=O)C)CC(C)C)C2)=CC=C1
InChI:   InChI=1/C19H27N3O3/c1-12(2)7-16(20-13(3)23)19(25)21-9-14-8-15(11-21)17-5-4-6-18(24)22(17)10-14/h4-6,12,14-16H,7-11H2,1-3H3,(H,20,23)/t14-,15+,16-/m1/s1

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Potential Energy
Epot(MMFF94)=89.1585 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 345.443 g/mol  logS: -3.02134  SlogP: 1.2978  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.321869  Sterimol/B1: 2.74218  Sterimol/B2: 3.89836  Sterimol/B3: 6.17861
  Sterimol/B4: 7.17392  Sterimol/L: 12.8783 
 
 Surface and Volume Properties
  Accessible surface: 558.88  Positive charged surface: 388.076  Negative charged surface: 170.803  Volume: 339.75
  Hydrophobic surface: 441.948  Hydrophilic surface: 116.932
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.