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MMsINC code: MMs02382814

Type: Neutral
Formula: C₁₄H₁₂ClNO₃

SMILES:

Clc1ccccc1Nc1ccc(OC)cc1C(O)=O

InChI:

InChI=1/C14H12ClNO3/c1-19-9-6-7-12(10(8-9)14(17)18)16-13-5-3-2-4-11(13)15/h2-8,16H,1H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.9927 kcal/mol

Physical Properties
Molecular Weight: 277.707 g/mol	logS: -3.75927	SlogP: 3.7904	Reactive groups: 0

Topological Properties
Globularity: 0.138069	Sterimol/B1: 2.67525	Sterimol/B2: 3.79613	Sterimol/B3: 5.13568
Sterimol/B4: 6.26514	Sterimol/L: 14.3768

Surface and Volume Properties
Accessible surface: 478.13	Positive charged surface: 276.654	Negative charged surface: 201.476	Volume: 247.375
Hydrophobic surface: 380.145	Hydrophilic surface: 97.985

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs02382815
NCID-ZINC04099443