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MMsINC code: MMs02942264

Type: Neutral
Formula: C₁₅H₁₃ClN₂O₃

SMILES:

Clc1cccc(NC(=O)Nc2ccc(cc2)C(O)=O)c1C

InChI:

InChI=1/C15H13ClN2O3/c1-9-12(16)3-2-4-13(9)18-15(21)17-11-7-5-10(6-8-11)14(19)20/h2-8H,1H3,(H,19,20)(H2,17,18,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.1789 kcal/mol

Physical Properties
Molecular Weight: 304.733 g/mol	logS: -4.11621	SlogP: 3.99062	Reactive groups: 0

Topological Properties
Globularity: 0.0359219	Sterimol/B1: 2.15405	Sterimol/B2: 2.29307	Sterimol/B3: 3.67315
Sterimol/B4: 6.44939	Sterimol/L: 17.139

Surface and Volume Properties
Accessible surface: 522.928	Positive charged surface: 272.45	Negative charged surface: 250.478	Volume: 267.125
Hydrophobic surface: 377.904	Hydrophilic surface: 145.024

Pharmacophoric Properties
Hydrogen bond donors: 4	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

MMs02942265
PUBCHEM-ZINC02857956