MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs01603103

Type: Neutral
Formula: C₁₅H₁₀Cl₃O₄P

SMILES:

ClC(Cl)(Cl)C1P(Oc2c(cccc2)C(O1)=O)(=O)c1ccccc1

InChI:

InChI=1/C15H10Cl3O4P/c16-15(17,18)14-21-13(19)11-8-4-5-9-12(11)22-23(14,20)10-6-2-1-3-7-10/h1-9,14H/t14-,23+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.959 kcal/mol

Physical Properties
Molecular Weight: 391.574 g/mol	logS: -5.70182	SlogP: 3.8854	Reactive groups: 0

Topological Properties
Globularity: 0.123114	Sterimol/B1: 3.15345	Sterimol/B2: 3.76659	Sterimol/B3: 4.35716
Sterimol/B4: 7.74145	Sterimol/L: 14.2837

Surface and Volume Properties
Accessible surface: 526.34	Positive charged surface: 197.024	Negative charged surface: 329.316	Volume: 298.375
Hydrophobic surface: 329.786	Hydrophilic surface: 196.554

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 2

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.