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MMsINC code: MMs02335664

Type: Neutral
Formula: C₁₆H₁₄ClNO₃

SMILES:

ClC(C(=O)NC(C(O)=O)c1ccccc1)c1ccccc1

InChI:

InChI=1/C16H14ClNO3/c17-13(11-7-3-1-4-8-11)15(19)18-14(16(20)21)12-9-5-2-6-10-12/h1-10,13-14H,(H,18,19)(H,20,21)/t13-,14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.4466 kcal/mol

Physical Properties
Molecular Weight: 303.745 g/mol	logS: -4.06003	SlogP: 3.0996	Reactive groups: 0

Topological Properties
Globularity: 0.095419	Sterimol/B1: 3.15328	Sterimol/B2: 4.13579	Sterimol/B3: 4.65903
Sterimol/B4: 5.0509	Sterimol/L: 15.8763

Surface and Volume Properties
Accessible surface: 538.694	Positive charged surface: 255.964	Negative charged surface: 282.73	Volume: 274.625
Hydrophobic surface: 371.741	Hydrophilic surface: 166.953

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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

MMs02335665
NCID-ZINC01707432