MMsINC Database Search


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MMsINC code: MMs00155919

Type: Neutral
Formula: C₂₄H₁₉ClN₂O₃

SMILES:

Clc1ccccc1-c1noc(C)c1C(=O)Nc1ccc(OCc2ccccc2)cc1

InChI:

InChI=1/C24H19ClN2O3/c1-16-22(23(27-30-16)20-9-5-6-10-21(20)25)24(28)26-18-11-13-19(14-12-18)29-15-17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.605 kcal/mol

Physical Properties
Molecular Weight: 418.88 g/mol	logS: -7.26236	SlogP: 6.40112	Reactive groups: 0

Topological Properties
Globularity: 0.0482604	Sterimol/B1: 2.15775	Sterimol/B2: 3.04102	Sterimol/B3: 4.3107
Sterimol/B4: 10.3738	Sterimol/L: 19.6186

Surface and Volume Properties
Accessible surface: 708.062	Positive charged surface: 348.336	Negative charged surface: 359.725	Volume: 389
Hydrophobic surface: 650.339	Hydrophilic surface: 57.723

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.