MMsINC Database Search


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MMsINC code: MMs00650490

Type: Neutral
Formula: C₂₀H₁₆ClNO₃

SMILES:

Clc1ccccc1Oc1ccc(NC(=O)c2cc(OC)ccc2)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.715 kcal/mol

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

Topological Properties
Globularity: 0.0417506	Sterimol/B1: 2.30234	Sterimol/B2: 4.39075	Sterimol/B3: 4.39404
Sterimol/B4: 5.47067	Sterimol/L: 20.0505

Surface and Volume Properties
Accessible surface: 616.455	Positive charged surface: 337.47	Negative charged surface: 278.985	Volume: 326.625
Hydrophobic surface: 568.03	Hydrophilic surface: 48.425

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.