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MMsINC code: MMs01077942

Type: Neutral
Formula: C₂₁H₁₆ClNO₃

SMILES:

Clc1cc(C(O)=O)c(NC(=O)C(c2ccccc2)c2ccccc2)cc1

InChI:

InChI=1/C21H16ClNO3/c22-16-11-12-18(17(13-16)21(25)26)23-20(24)19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19H,(H,23,24)(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.96 kcal/mol

Physical Properties
Molecular Weight: 365.816 g/mol	logS: -5.76249	SlogP: 4.8088	Reactive groups: 0

Topological Properties
Globularity: 0.139249	Sterimol/B1: 2.49474	Sterimol/B2: 3.55821	Sterimol/B3: 4.32014
Sterimol/B4: 9.2378	Sterimol/L: 15.179

Surface and Volume Properties
Accessible surface: 594.345	Positive charged surface: 304.794	Negative charged surface: 289.551	Volume: 336.125
Hydrophobic surface: 499.39	Hydrophilic surface: 94.955

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

MMs01077943
CHEMSTAR-ZINC01216249