MMsINC Database Search


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MMsINC code: MMs00725301

Type: Neutral
Formula: C₂₀H₁₅Cl₂NO₂

SMILES:

Clc1cccc(Cl)c1COc1ccccc1C(=O)Nc1ccccc1

InChI:

InChI=1/C20H15Cl2NO2/c21-17-10-6-11-18(22)16(17)13-25-19-12-5-4-9-15(19)20(24)23-14-7-2-1-3-8-14/h1-12H,13H2,(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.338 kcal/mol

Physical Properties
Molecular Weight: 372.251 g/mol	logS: -6.64173	SlogP: 6.0911	Reactive groups: 0

Topological Properties
Globularity: 0.0801105	Sterimol/B1: 2.75583	Sterimol/B2: 4.66677	Sterimol/B3: 4.81914
Sterimol/B4: 9.649	Sterimol/L: 14.3894

Surface and Volume Properties
Accessible surface: 607.327	Positive charged surface: 279.028	Negative charged surface: 328.299	Volume: 332.25
Hydrophobic surface: 573.904	Hydrophilic surface: 33.423

Pharmacophoric Properties
Hydrogen bond donors: 1	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.