MMsINC Database Search


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MMsINC code: MMs03538116

Type: Neutral
Formula: C₁₂H₆Cl₄O₂

SMILES:

Clc1c(cc(Cl)c(O)c1O)-c1cc(Cl)ccc1Cl

InChI:

InChI=1/C12H6Cl4O2/c13-5-1-2-8(14)6(3-5)7-4-9(15)11(17)12(18)10(7)16/h1-4,17-18H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.5813 kcal/mol

Physical Properties
Molecular Weight: 323.99 g/mol	logS: -6.02452	SlogP: 5.3784	Reactive groups: 0

Topological Properties
Globularity: 0.0895587	Sterimol/B1: 3.59047	Sterimol/B2: 3.66089	Sterimol/B3: 4.11951
Sterimol/B4: 4.99075	Sterimol/L: 12.6985

Surface and Volume Properties
Accessible surface: 466.374	Positive charged surface: 154.107	Negative charged surface: 311.215	Volume: 242.375
Hydrophobic surface: 381.331	Hydrophilic surface: 85.043

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.