MMsINC Database Search


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MMsINC code: MMs02215076

Type: Neutral
Formula: C₁₅H₁₄Cl₂O₂

SMILES:

Clc1cc(Cc2cc(Cl)cc(C)c2O)c(O)c(c1)C

InChI:

InChI=1/C15H14Cl2O2/c1-8-3-12(16)6-10(14(8)18)5-11-7-13(17)4-9(2)15(11)19/h3-4,6-7,18-19H,5H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.9909 kcal/mol

Physical Properties
Molecular Weight: 297.181 g/mol	logS: -4.25343	SlogP: 4.61221	Reactive groups: 0

Topological Properties
Globularity: 0.141275	Sterimol/B1: 2.67696	Sterimol/B2: 4.73299	Sterimol/B3: 4.82493
Sterimol/B4: 7.00783	Sterimol/L: 13.1031

Surface and Volume Properties
Accessible surface: 500.848	Positive charged surface: 237.174	Negative charged surface: 263.674	Volume: 268.5
Hydrophobic surface: 450.406	Hydrophilic surface: 50.442

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.