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FDA-ZINC01530613

 MMsINC code: MMs01725493
Type: Neutral
Formula: C19H35NO2
SMILES:   O(C(=O)C1(CCCCC1)C1CCCCC1)CCN(CC)CC
InChI:   InChI=1/C19H35NO2/c1-3-20(4-2)15-16-22-18(21)19(13-9-6-10-14-19)17-11-7-5-8-12-17/h17H,3-16H2,1-2H3

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Drug Similarity  
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Potential Energy
Epot(MMFF94)=82.5922 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 309.494 g/mol  logS: -5.08137  SlogP: 4.4022  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.155324  Sterimol/B1: 2.53947  Sterimol/B2: 2.61452  Sterimol/B3: 5.58286
  Sterimol/B4: 7.41434  Sterimol/L: 14.3621 
 
 Surface and Volume Properties
  Accessible surface: 549.875  Positive charged surface: 447.463  Negative charged surface: 102.411  Volume: 341.375
  Hydrophobic surface: 501.953  Hydrophilic surface: 47.922
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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


MMs01725494
FDA-ZINC01530613