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MMsINC code: MMs01222915

Type: Neutral
Formula: C₁₆H₁₃ClNO₃-

SMILES:

Clc1ccc(cc1)C(=O)NC(Cc1ccccc1)C(=O)[O-]

InChI:

InChI=1/C16H14ClNO3/c17-13-8-6-12(7-9-13)15(19)18-14(16(20)21)10-11-4-2-1-3-5-11/h1-9,14H,10H2,(H,18,19)(H,20,21)/p-1/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.4034 kcal/mol

Physical Properties
Molecular Weight: 302.737 g/mol	logS: -4.35096	SlogP: 1.43097	Reactive groups: 0

Topological Properties
Globularity: 0.159259	Sterimol/B1: 2.53859	Sterimol/B2: 3.40899	Sterimol/B3: 4.02748
Sterimol/B4: 8.67063	Sterimol/L: 14.2446

Surface and Volume Properties
Accessible surface: 520.4	Positive charged surface: 232.514	Negative charged surface: 287.886	Volume: 276.25
Hydrophobic surface: 412.807	Hydrophilic surface: 107.593

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 2	Basic groups: 0
Chiral centers: 1

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

MMs01222916
ENAMINE-ZINC00069539