MMsINC Database Search


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MMsINC code: MMs02674806

Type: Neutral
Formula: C₁₄H₁₀Cl₃NO₂

SMILES:

Clc1cccc(NC(Oc2cc(Cl)cc(Cl)c2)=O)c1C

InChI:

InChI=1/C14H10Cl3NO2/c1-8-12(17)3-2-4-13(8)18-14(19)20-11-6-9(15)5-10(16)7-11/h2-7H,1H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.0153 kcal/mol

Physical Properties
Molecular Weight: 330.598 g/mol	logS: -5.75946	SlogP: 5.56612	Reactive groups: 0

Topological Properties
Globularity: 0.0512555	Sterimol/B1: 1.969	Sterimol/B2: 2.88255	Sterimol/B3: 4.38255
Sterimol/B4: 6.72928	Sterimol/L: 15.5211

Surface and Volume Properties
Accessible surface: 527.449	Positive charged surface: 192.367	Negative charged surface: 335.082	Volume: 269.75
Hydrophobic surface: 481.938	Hydrophilic surface: 45.511

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