MMsINC Database Search


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MMsINC code: MMs02256039

Type: Neutral
Formula: C₁₈H₁₂Cl₂O₂

SMILES:

Clc1ccc(cc1)-c1cc(O)c(cc1O)-c1ccc(Cl)cc1

InChI:

InChI=1/C18H12Cl2O2/c19-13-5-1-11(2-6-13)15-9-18(22)16(10-17(15)21)12-3-7-14(20)8-4-12/h1-10,21-22H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.0888 kcal/mol

Physical Properties
Molecular Weight: 331.198 g/mol	logS: -6.98232	SlogP: 5.7386	Reactive groups: 0

Topological Properties
Globularity: 0.0567439	Sterimol/B1: 2.49265	Sterimol/B2: 3.12885	Sterimol/B3: 4.134
Sterimol/B4: 5.08873	Sterimol/L: 18.8382

Surface and Volume Properties
Accessible surface: 554.324	Positive charged surface: 232.777	Negative charged surface: 311.155	Volume: 293.375
Hydrophobic surface: 477.918	Hydrophilic surface: 76.406

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.