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NCID-ZINC01718958

 MMsINC code: MMs02344183
Type: Neutral
Formula: C10H20NO3P
SMILES:   P(OCC)(OCC)(=O)CCCCCC#N
InChI:   InChI=1/C10H20NO3P/c1-3-13-15(12,14-4-2)10-8-6-5-7-9-11/h3-8,10H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=4.84082 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 233.248 g/mol  logS: -1.1304  SlogP: 2.26628  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.048648  Sterimol/B1: 2.10436  Sterimol/B2: 2.563  Sterimol/B3: 4.10969
  Sterimol/B4: 7.98047  Sterimol/L: 16.4201 
 
 Surface and Volume Properties
  Accessible surface: 517.266  Positive charged surface: 367.102  Negative charged surface: 150.164  Volume: 237.25
  Hydrophobic surface: 352.691  Hydrophilic surface: 164.575
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: no related molecules available.