MMsINC Database Search


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MMsINC code: MMs03538911

Type: Neutral
Formula: C₁₄H₇Cl₃O₃

SMILES:

Clc1cc(cc(Cl)c1C(=O)c1ccc(Cl)cc1)C(O)=O

InChI:

InChI=1/C14H7Cl3O3/c15-9-3-1-7(2-4-9)13(18)12-10(16)5-8(14(19)20)6-11(12)17/h1-6H,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.0582 kcal/mol

Physical Properties
Molecular Weight: 329.566 g/mol	logS: -5.62996	SlogP: 4.576	Reactive groups: 0

Topological Properties
Globularity: 0.110844	Sterimol/B1: 3.38504	Sterimol/B2: 4.4452	Sterimol/B3: 4.78848
Sterimol/B4: 5.27355	Sterimol/L: 14.8602

Surface and Volume Properties
Accessible surface: 493.46	Positive charged surface: 159.224	Negative charged surface: 334.236	Volume: 258.25
Hydrophobic surface: 371.337	Hydrophilic surface: 122.123

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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

MMs03538912
PUBCHEM-ZINC06092747