MMsINC Database Search


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MMsINC code: MMs03482675

Type: Neutral
Formula: C₁₃H₈Cl₄O

SMILES:

Clc1c(OC)c(ccc1Cl)-c1cc(Cl)c(Cl)cc1

InChI:

InChI=1/C13H8Cl4O/c1-18-13-8(3-5-10(15)12(13)17)7-2-4-9(14)11(16)6-7/h2-6H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.5689 kcal/mol

Physical Properties
Molecular Weight: 322.018 g/mol	logS: -6.7988	SlogP: 5.9758	Reactive groups: 0

Topological Properties
Globularity: 0.149824	Sterimol/B1: 2.3458	Sterimol/B2: 2.4151	Sterimol/B3: 5.33253
Sterimol/B4: 6.79066	Sterimol/L: 14.5672

Surface and Volume Properties
Accessible surface: 480.24	Positive charged surface: 173.624	Negative charged surface: 304.116	Volume: 255.5
Hydrophobic surface: 475.725	Hydrophilic surface: 4.515

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.