MMsINC Database Search


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MMsINC code: MMs00477697

Type: Neutral
Formula: C₁₄H₁₀Cl₄O₃

SMILES:

Clc1cc(Cl)cc(COCc2cc(Cl)cc(Cl)c2O)c1O

InChI:

InChI=1/C14H10Cl4O3/c15-9-1-7(13(19)11(17)3-9)5-21-6-8-2-10(16)4-12(18)14(8)20/h1-4,19-20H,5-6H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.1435 kcal/mol

Physical Properties
Molecular Weight: 368.043 g/mol	logS: -5.48224	SlogP: 5.961	Reactive groups: 0

Topological Properties
Globularity: 0.0112551	Sterimol/B1: 2.23145	Sterimol/B2: 2.51673	Sterimol/B3: 4.60459
Sterimol/B4: 5.02242	Sterimol/L: 16.8485

Surface and Volume Properties
Accessible surface: 554.355	Positive charged surface: 188.068	Negative charged surface: 366.287	Volume: 285.875
Hydrophobic surface: 466.084	Hydrophilic surface: 88.271

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.