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MMsINC code: MMs03069143

Type: Neutral
Formula: C₁₇H₁₄ClNO₃

SMILES:

Clc1c2[nH]c(cc2c(OCc2ccccc2)cc1C)C(O)=O

InChI:

InChI=1/C17H14ClNO3/c1-10-7-14(22-9-11-5-3-2-4-6-11)12-8-13(17(20)21)19-16(12)15(10)18/h2-8,19H,9H2,1H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.3906 kcal/mol

Physical Properties
Molecular Weight: 315.756 g/mol	logS: -4.51014	SlogP: 4.67332	Reactive groups: 0

Topological Properties
Globularity: 0.0609095	Sterimol/B1: 1.969	Sterimol/B2: 3.61453	Sterimol/B3: 3.62097
Sterimol/B4: 10.019	Sterimol/L: 14.7375

Surface and Volume Properties
Accessible surface: 554.705	Positive charged surface: 279.979	Negative charged surface: 269.963	Volume: 286.375
Hydrophobic surface: 424.237	Hydrophilic surface: 130.468

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

MMs03069144
PUBCHEM-ZINC03748715