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CHEMDIV-ZINC04076772

 MMsINC code: MMs00924994
Type: Neutral
Formula: C19H27N3O3
SMILES:   O1CCN(CC1)CCCNC(=O)c1cc(N2CCCC2=O)c(cc1)C
InChI:   InChI=1/C19H27N3O3/c1-15-5-6-16(14-17(15)22-9-2-4-18(22)23)19(24)20-7-3-8-21-10-12-25-13-11-21/h5-6,14H,2-4,7-13H2,1H3,(H,20,24)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=88.6133 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 345.443 g/mol  logS: -2.41125  SlogP: 1.57392  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0276136  Sterimol/B1: 2.467  Sterimol/B2: 3.65405  Sterimol/B3: 3.80477
  Sterimol/B4: 6.54931  Sterimol/L: 20.1282 
 
 Surface and Volume Properties
  Accessible surface: 645.797  Positive charged surface: 484.319  Negative charged surface: 161.479  Volume: 347.5
  Hydrophobic surface: 553.137  Hydrophilic surface: 92.66
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs00924995
CHEMDIV-ZINC04076772