MMsINC Database Search


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MMsINC code: MMs02199160

Type: Neutral
Formula: C₁₅H₁₂Cl₄O₂

SMILES:

Clc1cc(cc(Cl)c1O)C(C)(C)c1cc(Cl)c(O)c(Cl)c1

InChI:

InChI=1/C15H12Cl4O2/c1-15(2,7-3-9(16)13(20)10(17)4-7)8-5-11(18)14(21)12(19)6-8/h3-6,20-21H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.8476 kcal/mol

Physical Properties
Molecular Weight: 366.071 g/mol	logS: -6.74496	SlogP: 6.0373	Reactive groups: 0

Topological Properties
Globularity: 0.243445	Sterimol/B1: 2.12029	Sterimol/B2: 3.39786	Sterimol/B3: 5.49301
Sterimol/B4: 6.90378	Sterimol/L: 13.3397

Surface and Volume Properties
Accessible surface: 537.449	Positive charged surface: 191.009	Negative charged surface: 346.441	Volume: 294.25
Hydrophobic surface: 426.348	Hydrophilic surface: 111.101

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.