MMsINC Database Search


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MMsINC code: MMs03200260

Type: Neutral
Formula: C₂₁H₁₇Cl₂NO₂

SMILES:

Clc1ccc(cc1)C(O)(C(=O)NCc1ccccc1)c1ccc(Cl)cc1

InChI:

InChI=1/C21H17Cl2NO2/c22-18-10-6-16(7-11-18)21(26,17-8-12-19(23)13-9-17)20(25)24-14-15-4-2-1-3-5-15/h1-13,26H,14H2,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.666 kcal/mol

Physical Properties
Molecular Weight: 386.278 g/mol	logS: -6.33285	SlogP: 5.1236	Reactive groups: 0

Topological Properties
Globularity: 0.129552	Sterimol/B1: 3.53114	Sterimol/B2: 4.12937	Sterimol/B3: 5.00919
Sterimol/B4: 7.97285	Sterimol/L: 16.8475

Surface and Volume Properties
Accessible surface: 638.446	Positive charged surface: 283.816	Negative charged surface: 354.63	Volume: 350.875
Hydrophobic surface: 585.062	Hydrophilic surface: 53.384

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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: no related molecules available.