MMsINC Database Search


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MMsINC code: MMs00715328

Type: Neutral
Formula: C₁₉H₁₃Cl₃N₂O₂

SMILES:

Clc1ccc(Cl)cc1OCc1ccc(cc1)C(=O)Nc1ncc(Cl)cc1

InChI:

InChI=1/C19H13Cl3N2O2/c20-14-5-7-16(22)17(9-14)26-11-12-1-3-13(4-2-12)19(25)24-18-8-6-15(21)10-23-18/h1-10H,11H2,(H,23,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.5469 kcal/mol

Physical Properties
Molecular Weight: 407.684 g/mol	logS: -6.42914	SlogP: 6.1395	Reactive groups: 0

Topological Properties
Globularity: 0.0394991	Sterimol/B1: 2.48529	Sterimol/B2: 4.0768	Sterimol/B3: 5.12518
Sterimol/B4: 5.45081	Sterimol/L: 21.516

Surface and Volume Properties
Accessible surface: 646.833	Positive charged surface: 268.089	Negative charged surface: 378.745	Volume: 344.5
Hydrophobic surface: 591.93	Hydrophilic surface: 54.903

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.