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CHEMBLOCK-ZINC00062006

 MMsINC code: MMs00492334
Type: Neutral
Formula: C15H22NO3P
SMILES:   P(O)(=O)(CCc1ccccc1)CN1CCCCCC1=O
InChI:   InChI=1/C15H22NO3P/c17-15-9-5-2-6-11-16(15)13-20(18,19)12-10-14-7-3-1-4-8-14/h1,3-4,7-8H,2,5-6,9-13H2,(H,18,19)

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Potential Energy
Epot(MMFF94)=45.3525 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 295.319 g/mol  logS: -1.24916  SlogP: 1.78937  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0615168  Sterimol/B1: 3.36794  Sterimol/B2: 3.65291  Sterimol/B3: 4.00632
  Sterimol/B4: 4.07497  Sterimol/L: 16.3556 
 
 Surface and Volume Properties
  Accessible surface: 530.203  Positive charged surface: 349.669  Negative charged surface: 180.534  Volume: 287
  Hydrophobic surface: 453.56  Hydrophilic surface: 76.643
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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


MMs00492335
CHEMBLOCK-ZINC00062006