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MMsINC code: MMs00835181

Type: Neutral
Formula: C₁₅H₁₀ClNO₅

SMILES:

Clc1ccccc1NC(=O)c1ccc(cc1C(O)=O)C(O)=O

InChI:

InChI=1/C15H10ClNO5/c16-11-3-1-2-4-12(11)17-13(18)9-6-5-8(14(19)20)7-10(9)15(21)22/h1-7H,(H,17,18)(H,19,20)(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.5982 kcal/mol

Physical Properties
Molecular Weight: 319.7 g/mol	logS: -4.02796	SlogP: 2.9887	Reactive groups: 0

Topological Properties
Globularity: 0.0734762	Sterimol/B1: 2.48677	Sterimol/B2: 3.79121	Sterimol/B3: 5.82233
Sterimol/B4: 6.22659	Sterimol/L: 15.979

Surface and Volume Properties
Accessible surface: 519.104	Positive charged surface: 253.056	Negative charged surface: 266.048	Volume: 265
Hydrophobic surface: 315.004	Hydrophilic surface: 204.1

Pharmacophoric Properties
Hydrogen bond donors: 5	Hydrogen bond acceptors: 5	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

MMs00835182
CHEMDIV-ZINC00168148