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MMsINC code: MMs02316696

Type: Neutral
Formula: C₁₄H₁₀ClNO₃

SMILES:

Clc1cccc(C(=O)c2ccccc2C(O)=O)c1N

InChI:

InChI=1/C14H10ClNO3/c15-11-7-3-6-10(12(11)16)13(17)8-4-1-2-5-9(8)14(18)19/h1-7H,16H2,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.7946 kcal/mol

Physical Properties
Molecular Weight: 275.691 g/mol	logS: -3.88226	SlogP: 2.8514	Reactive groups: 0

Topological Properties
Globularity: 0.237378	Sterimol/B1: 2.63392	Sterimol/B2: 3.988	Sterimol/B3: 4.26882
Sterimol/B4: 6.55978	Sterimol/L: 13.6721

Surface and Volume Properties
Accessible surface: 455.07	Positive charged surface: 225.272	Negative charged surface: 229.799	Volume: 238.875
Hydrophobic surface: 318.547	Hydrophilic surface: 136.523

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

MMs02316697
NCID-ZINC01683101