MMsINC Database Search


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MMsINC code: MMs01547293

Type: Neutral
Formula: C₁₆H₁₄Cl₂N₂O₃

SMILES:

Clc1c(NC(=O)COc2ccccc2C(=O)N)c(Cl)ccc1C

InChI:

InChI=1/C16H14Cl2N2O3/c1-9-6-7-11(17)15(14(9)18)20-13(21)8-23-12-5-3-2-4-10(12)16(19)22/h2-7H,8H2,1H3,(H2,19,22)(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=112.852 kcal/mol

Physical Properties
Molecular Weight: 353.205 g/mol	logS: -5.31286	SlogP: 3.41822	Reactive groups: 0

Topological Properties
Globularity: 0.0770828	Sterimol/B1: 2.46817	Sterimol/B2: 4.55679	Sterimol/B3: 5.22768
Sterimol/B4: 7.01301	Sterimol/L: 16.4253

Surface and Volume Properties
Accessible surface: 566.461	Positive charged surface: 285.952	Negative charged surface: 280.508	Volume: 302.875
Hydrophobic surface: 431.918	Hydrophilic surface: 134.543

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.