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MMsINC code: MMs01830521

Type: Neutral
Formula: C₁₃H₂₂ClN₂O₃P

SMILES:

Clc1ccc(nc1)NP(OCC(C)C)(OCC(C)C)=O

InChI:

InChI=1/C13H22ClN2O3P/c1-10(2)8-18-20(17,19-9-11(3)4)16-13-6-5-12(14)7-15-13/h5-7,10-11H,8-9H2,1-4H3,(H,15,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-9.77992 kcal/mol

Physical Properties
Molecular Weight: 320.757 g/mol	logS: -2.38144	SlogP: 3.53	Reactive groups: 0

Topological Properties
Globularity: 0.157874	Sterimol/B1: 3.73998	Sterimol/B2: 3.8345	Sterimol/B3: 4.81469
Sterimol/B4: 8.4038	Sterimol/L: 14.519

Surface and Volume Properties
Accessible surface: 593.149	Positive charged surface: 374.864	Negative charged surface: 218.284	Volume: 299.375
Hydrophobic surface: 460.033	Hydrophilic surface: 133.116

Pharmacophoric Properties
Hydrogen bond donors: 1	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.