MMsINC Database Search


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MMsINC code: MMs02370714

Type: Neutral
Formula: C₁₅H₁₀Cl₆O₂

SMILES:

Clc1c(O)c(Cl)cc(C(C)(C)c2cc(Cl)c(O)c(Cl)c2Cl)c1Cl

InChI:

InChI=1/C15H10Cl6O2/c1-15(2,5-3-7(16)13(22)11(20)9(5)18)6-4-8(17)14(23)12(21)10(6)19/h3-4,22-23H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=138.112 kcal/mol

Physical Properties
Molecular Weight: 434.961 g/mol	logS: -7.90009	SlogP: 7.3441	Reactive groups: 0

Topological Properties
Globularity: 0.249973	Sterimol/B1: 2.11567	Sterimol/B2: 3.16731	Sterimol/B3: 5.66732
Sterimol/B4: 6.78422	Sterimol/L: 13.437

Surface and Volume Properties
Accessible surface: 542.143	Positive charged surface: 165.175	Negative charged surface: 376.968	Volume: 318.25
Hydrophobic surface: 431.538	Hydrophilic surface: 110.605

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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.