MMsINC Database Search


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MMsINC code: MMs02732262

Type: Neutral
Formula: C₁₅H₁₀Cl₃NO₃

SMILES:

Clc1cc(Cl)cc(Cl)c1OC(=O)CNC(=O)c1ccccc1

InChI:

InChI=1/C15H10Cl3NO3/c16-10-6-11(17)14(12(18)7-10)22-13(20)8-19-15(21)9-4-2-1-3-5-9/h1-7H,8H2,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.9431 kcal/mol

Physical Properties
Molecular Weight: 358.608 g/mol	logS: -5.87438	SlogP: 3.9822	Reactive groups: 0

Topological Properties
Globularity: 0.0537315	Sterimol/B1: 3.07816	Sterimol/B2: 4.74794	Sterimol/B3: 4.75122
Sterimol/B4: 5.56119	Sterimol/L: 17.7096

Surface and Volume Properties
Accessible surface: 565.14	Positive charged surface: 204.44	Negative charged surface: 360.7	Volume: 292.125
Hydrophobic surface: 489.182	Hydrophilic surface: 75.958

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.