MMsINC Database Search


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MMsINC code: MMs02769453

Type: Neutral
Formula: C₂₀H₁₅Cl₂NO₂

SMILES:

Clc1ccc(Cl)cc1C(=O)Nc1ccc(OCc2ccccc2)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.639 kcal/mol

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

Topological Properties
Globularity: 0.0261897	Sterimol/B1: 3.30388	Sterimol/B2: 3.54976	Sterimol/B3: 4.54539
Sterimol/B4: 4.99557	Sterimol/L: 20.4436

Surface and Volume Properties
Accessible surface: 635.308	Positive charged surface: 289.572	Negative charged surface: 345.736	Volume: 334.5
Hydrophobic surface: 597.527	Hydrophilic surface: 37.781

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.