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MMsINC code: MMs00834477

Type: Neutral
Formula: C₁₄H₁₀ClNO₃

SMILES:

Clc1ccccc1C(=O)Nc1ccccc1C(O)=O

InChI:

InChI=1/C14H10ClNO3/c15-11-7-3-1-5-9(11)13(17)16-12-8-4-2-6-10(12)14(18)19/h1-8H,(H,16,17)(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.5382 kcal/mol

Physical Properties
Molecular Weight: 275.691 g/mol	logS: -4.05856	SlogP: 3.2905	Reactive groups: 0

Topological Properties
Globularity: 0.0152819	Sterimol/B1: 2.39753	Sterimol/B2: 3.10758	Sterimol/B3: 3.76101
Sterimol/B4: 6.31714	Sterimol/L: 14.0549

Surface and Volume Properties
Accessible surface: 463.209	Positive charged surface: 228.925	Negative charged surface: 234.284	Volume: 240.375
Hydrophobic surface: 359.342	Hydrophilic surface: 103.867

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

MMs00834478
CHEMDIV-ZINC00138857