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NCID-ZINC01737424

 MMsINC code: MMs02358383
Type: Neutral
Formula: C16H25N2O2P
SMILES:   P(Oc1ccccc1)(=O)(N1CCCCC1)N1CCCCC1
InChI:   InChI=1/C16H25N2O2P/c19-21(17-12-6-2-7-13-17,18-14-8-3-9-15-18)20-16-10-4-1-5-11-16/h1,4-5,10-11H,2-3,6-9,12-15H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=19.1272 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 308.362 g/mol  logS: -2.11294  SlogP: 3.0751  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.207627  Sterimol/B1: 2.097  Sterimol/B2: 3.28058  Sterimol/B3: 5.05233
  Sterimol/B4: 7.90808  Sterimol/L: 12.2436 
 
 Surface and Volume Properties
  Accessible surface: 502.355  Positive charged surface: 356.77  Negative charged surface: 145.586  Volume: 300.125
  Hydrophobic surface: 467.627  Hydrophilic surface: 34.728
 
 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: no related molecules available.