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MMsINC code: MMs00538848

Type: Neutral
Formula: C₂₄H₁₆ClNO₂

SMILES:

Clc1cc2c(nc(cc2C(O)=O)-c2ccc(cc2)\C=C\c2ccccc2)cc1

InChI:

InChI=1/C24H16ClNO2/c25-19-12-13-22-20(14-19)21(24(27)28)15-23(26-22)18-10-8-17(9-11-18)7-6-16-4-2-1-3-5-16/h1-15H,(H,27,28)/b7-6+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.472 kcal/mol

Physical Properties
Molecular Weight: 385.85 g/mol	logS: -7.94647	SlogP: 6.4238	Reactive groups: 0

Topological Properties
Globularity: 2.72526e-05	Sterimol/B1: 2.10277	Sterimol/B2: 2.1073	Sterimol/B3: 4.69118
Sterimol/B4: 6.01064	Sterimol/L: 21.8976

Surface and Volume Properties
Accessible surface: 658.72	Positive charged surface: 290.726	Negative charged surface: 356.923	Volume: 362.375
Hydrophobic surface: 551.336	Hydrophilic surface: 107.384

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs00538849
CHEMBLOCK-ZINC03626338