MMsINC Database Search


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MMsINC code: MMs00143677

Type: Neutral
Formula: C₁₇H₁₁Cl₃N₂O₂

SMILES:

Clc1ccccc1-c1noc(C)c1C(=O)Nc1cc(Cl)ccc1Cl

InChI:

InChI=1/C17H11Cl3N2O2/c1-9-15(16(22-24-9)11-4-2-3-5-12(11)19)17(23)21-14-8-10(18)6-7-13(14)20/h2-8H,1H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.3034 kcal/mol

Physical Properties
Molecular Weight: 381.646 g/mol	logS: -6.91266	SlogP: 5.86252	Reactive groups: 0

Topological Properties
Globularity: 0.153972	Sterimol/B1: 2.41321	Sterimol/B2: 4.12726	Sterimol/B3: 4.45247
Sterimol/B4: 9.65152	Sterimol/L: 13.5711

Surface and Volume Properties
Accessible surface: 577.387	Positive charged surface: 208.478	Negative charged surface: 368.908	Volume: 315
Hydrophobic surface: 534.598	Hydrophilic surface: 42.789

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.