MMsINC Database Search


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MMsINC code: MMs00800257

Type: Neutral
Formula: C₁₆H₁₅Cl₂NO₄

SMILES:

Clc1cc(Cl)cc(C(=O)Nc2ccc(OC)cc2OC)c1OC

InChI:

InChI=1/C16H15Cl2NO4/c1-21-10-4-5-13(14(8-10)22-2)19-16(20)11-6-9(17)7-12(18)15(11)23-3/h4-8H,1-3H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.144 kcal/mol

Physical Properties
Molecular Weight: 356.205 g/mol	logS: -4.97459	SlogP: 4.2715	Reactive groups: 0

Topological Properties
Globularity: 0.0517236	Sterimol/B1: 2.65339	Sterimol/B2: 2.95724	Sterimol/B3: 3.8982
Sterimol/B4: 7.96543	Sterimol/L: 16.2084

Surface and Volume Properties
Accessible surface: 576.943	Positive charged surface: 350.463	Negative charged surface: 226.48	Volume: 305.75
Hydrophobic surface: 533.162	Hydrophilic surface: 43.781

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.