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IBS-ZINC04811661

 MMsINC code: MMs01895296
Type: Ionized
Formula: C9H15NO3P-
SMILES:   P(=O)([O-])(CCc1occc1)CN(C)C
InChI:   InChI=1/C9H16NO3P/c1-10(2)8-14(11,12)7-5-9-4-3-6-13-9/h3-4,6H,5,7-8H2,1-2H3,(H,11,12)/p-1

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Potential Energy
Epot(MMFF94)=31.8085 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.197 g/mol  logS: -0.26749  SlogP: -0.09063  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0703686  Sterimol/B1: 2.29793  Sterimol/B2: 3.18273  Sterimol/B3: 3.78651
  Sterimol/B4: 5.01758  Sterimol/L: 14.2997 
 
 Surface and Volume Properties
  Accessible surface: 438.616  Positive charged surface: 289.764  Negative charged surface: 148.851  Volume: 205.5
  Hydrophobic surface: 369.412  Hydrophilic surface: 69.204
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 2  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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Parent related molecule:


MMs01895295
IBS-ZINC04811661