MMsINC Database Search


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MMsINC code: MMs02942918

Type: Neutral
Formula: C₂₀H₁₆ClNO₃

SMILES:

Clc1cc(NC(=O)c2ccc(OC)cc2)c(Oc2ccccc2)cc1

InChI:

InChI=1/C20H16ClNO3/c1-24-16-10-7-14(8-11-16)20(23)22-18-13-15(21)9-12-19(18)25-17-5-3-2-4-6-17/h2-13H,1H3,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.439 kcal/mol

Physical Properties
Molecular Weight: 353.805 g/mol	logS: -5.92225	SlogP: 5.3932	Reactive groups: 0

Topological Properties
Globularity: 0.0435725	Sterimol/B1: 2.51812	Sterimol/B2: 3.02252	Sterimol/B3: 4.04159
Sterimol/B4: 9.65474	Sterimol/L: 16.7908

Surface and Volume Properties
Accessible surface: 609.904	Positive charged surface: 331.323	Negative charged surface: 278.581	Volume: 325.5
Hydrophobic surface: 564.665	Hydrophilic surface: 45.239

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.