MMsINC Database Search


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MMsINC code: MMs00687894

Type: Neutral
Formula: C₂₀H₁₆Cl₂N₂O₂

SMILES:

Clc1cc(cc(Cl)c1OC)C(=O)Nc1ccc(cc1)Cc1ccncc1

InChI:

InChI=1/C20H16Cl2N2O2/c1-26-19-17(21)11-15(12-18(19)22)20(25)24-16-4-2-13(3-5-16)10-14-6-8-23-9-7-14/h2-9,11-12H,10H2,1H3,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.462 kcal/mol

Physical Properties
Molecular Weight: 387.266 g/mol	logS: -5.73207	SlogP: 5.24007	Reactive groups: 0

Topological Properties
Globularity: 0.0385252	Sterimol/B1: 3.59577	Sterimol/B2: 4.01199	Sterimol/B3: 4.10442
Sterimol/B4: 5.23556	Sterimol/L: 19.4344

Surface and Volume Properties
Accessible surface: 632.083	Positive charged surface: 357.454	Negative charged surface: 274.629	Volume: 345.75
Hydrophobic surface: 570.432	Hydrophilic surface: 61.651

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