MMsINC Database Search


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MMsINC code: MMs00114628

Type: Neutral
Formula: C₁₈H₁₅ClN₂O₃

SMILES:

Clc1ccccc1-c1noc(C)c1C(=O)Nc1cc(OC)ccc1

InChI:

InChI=1/C18H15ClN2O3/c1-11-16(17(21-24-11)14-8-3-4-9-15(14)19)18(22)20-12-6-5-7-13(10-12)23-2/h3-10H,1-2H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.3773 kcal/mol

Physical Properties
Molecular Weight: 342.782 g/mol	logS: -5.49446	SlogP: 4.56432	Reactive groups: 0

Topological Properties
Globularity: 0.112951	Sterimol/B1: 2.3487	Sterimol/B2: 3.76587	Sterimol/B3: 3.84392
Sterimol/B4: 9.99542	Sterimol/L: 14.9942

Surface and Volume Properties
Accessible surface: 577.786	Positive charged surface: 307.461	Negative charged surface: 270.326	Volume: 309.25
Hydrophobic surface: 519.052	Hydrophilic surface: 58.734

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.