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CHEMDIV-ZINC03506419

 MMsINC code: MMs00910658
Type: Neutral
Formula: C18H28N2O3
SMILES:   o1cccc1CNC(=O)C(NC(=O)C1CCC(CC1)C)C(C)C
InChI:   InChI=1/C18H28N2O3/c1-12(2)16(18(22)19-11-15-5-4-10-23-15)20-17(21)14-8-6-13(3)7-9-14/h4-5,10,12-14,16H,6-9,11H2,1-3H3,(H,19,22)(H,20,21)/t13-,14+,16-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=53.5298 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 320.433 g/mol  logS: -4.55564  SlogP: 3.1293  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.101583  Sterimol/B1: 2.30758  Sterimol/B2: 3.07885  Sterimol/B3: 4.69085
  Sterimol/B4: 8.5749  Sterimol/L: 16.0886 
 
 Surface and Volume Properties
  Accessible surface: 595.855  Positive charged surface: 397.661  Negative charged surface: 198.195  Volume: 327.25
  Hydrophobic surface: 476.019  Hydrophilic surface: 119.836
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.