MMsINC Database Search


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MMsINC code: MMs00861274

Type: Neutral
Formula: C₂₄H₁₉ClN₂O₃

SMILES:

Clc1ccccc1NC(=O)c1cc(nc2c1cccc2)-c1cc(OC)c(OC)cc1

InChI:

InChI=1/C24H19ClN2O3/c1-29-22-12-11-15(13-23(22)30-2)21-14-17(16-7-3-5-9-19(16)26-21)24(28)27-20-10-6-4-8-18(20)25/h3-14H,1-2H3,(H,27,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=146.47 kcal/mol

Physical Properties
Molecular Weight: 418.88 g/mol	logS: -7.17364	SlogP: 5.8247	Reactive groups: 0

Topological Properties
Globularity: 0.0128929	Sterimol/B1: 2.02387	Sterimol/B2: 2.5633	Sterimol/B3: 3.6798
Sterimol/B4: 11.7559	Sterimol/L: 17.7652

Surface and Volume Properties
Accessible surface: 696.192	Positive charged surface: 404.371	Negative charged surface: 279.886	Volume: 386.5
Hydrophobic surface: 633.373	Hydrophilic surface: 62.819

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.