MMsINC Database Search


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MMsINC code: MMs02268271

Type: Neutral
Formula: C₁₆H₉ClN₂O₃

SMILES:

Clc1ccc(cc1)C(=O)NC1=CC(=O)C(=O)c2c1nccc2

InChI:

InChI=1/C16H9ClN2O3/c17-10-5-3-9(4-6-10)16(22)19-12-8-13(20)15(21)11-2-1-7-18-14(11)12/h1-8H,(H,19,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.611 kcal/mol

Physical Properties
Molecular Weight: 312.712 g/mol	logS: -4.28445	SlogP: 2.2713	Reactive groups: 1

Topological Properties
Globularity: 0.0511354	Sterimol/B1: 2.48909	Sterimol/B2: 2.64665	Sterimol/B3: 3.68466
Sterimol/B4: 7.66333	Sterimol/L: 15.7919

Surface and Volume Properties
Accessible surface: 511.368	Positive charged surface: 235.553	Negative charged surface: 275.815	Volume: 264.375
Hydrophobic surface: 377.801	Hydrophilic surface: 133.567

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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: no related molecules available.