MMsINC Database Search


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MMsINC code: MMs02250704

Type: Neutral
Formula: C₁₄H₁₂Cl₂O₂

SMILES:

Clc1cc(C(C)c2cc(Cl)ccc2O)c(O)cc1

InChI:

InChI=1/C14H12Cl2O2/c1-8(11-6-9(15)2-4-13(11)17)12-7-10(16)3-5-14(12)18/h2-8,17-18H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.4254 kcal/mol

Physical Properties
Molecular Weight: 283.154 g/mol	logS: -4.44771	SlogP: 4.5564	Reactive groups: 0

Topological Properties
Globularity: 0.273217	Sterimol/B1: 2.01714	Sterimol/B2: 4.09186	Sterimol/B3: 5.60239
Sterimol/B4: 5.62107	Sterimol/L: 11.7098

Surface and Volume Properties
Accessible surface: 471.732	Positive charged surface: 206.848	Negative charged surface: 264.884	Volume: 245.625
Hydrophobic surface: 378.418	Hydrophilic surface: 93.314

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.