MMsINC Database Search


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MMsINC code: MMs00618495

Type: Neutral
Formula: C₁₅H₁₃Cl₂NO₃

SMILES:

Clc1cc(Cl)ccc1C(=O)Nc1cc(OC)cc(OC)c1

InChI:

InChI=1/C15H13Cl2NO3/c1-20-11-6-10(7-12(8-11)21-2)18-15(19)13-4-3-9(16)5-14(13)17/h3-8H,1-2H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.7103 kcal/mol

Physical Properties
Molecular Weight: 326.179 g/mol	logS: -4.92421	SlogP: 4.2629	Reactive groups: 0

Topological Properties
Globularity: 0.0216287	Sterimol/B1: 2.24812	Sterimol/B2: 2.52612	Sterimol/B3: 3.79558
Sterimol/B4: 6.86672	Sterimol/L: 16.6972

Surface and Volume Properties
Accessible surface: 543.247	Positive charged surface: 299.262	Negative charged surface: 243.986	Volume: 277.625
Hydrophobic surface: 493.671	Hydrophilic surface: 49.576

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.