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MMsINC code: MMs03801825

Type: Neutral
Formula: C₁₈H₁₁ClO₃

SMILES:

Clc1cc2cc(ccc2cc1)C(=O)c1ccccc1C(O)=O

InChI:

InChI=1/C18H11ClO3/c19-14-8-7-11-5-6-12(9-13(11)10-14)17(20)15-3-1-2-4-16(15)18(21)22/h1-10H,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.2773 kcal/mol

Physical Properties
Molecular Weight: 310.736 g/mol	logS: -6.03926	SlogP: 4.4224	Reactive groups: 0

Topological Properties
Globularity: 0.140693	Sterimol/B1: 2.69633	Sterimol/B2: 3.4503	Sterimol/B3: 4.68862
Sterimol/B4: 6.58303	Sterimol/L: 15.8003

Surface and Volume Properties
Accessible surface: 514.639	Positive charged surface: 230.681	Negative charged surface: 273.831	Volume: 274.625
Hydrophobic surface: 407.939	Hydrophilic surface: 106.7

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

MMs03801826
PUBCHEM-ZINC06567857