MMsINC Database Search


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MMsINC code: MMs01270912

Type: Neutral
Formula: C₁₅H₁₂Cl₃NO

SMILES:

Clc1ccccc1CNC(=O)Cc1cc(Cl)c(Cl)cc1

InChI:

InChI=1/C15H12Cl3NO/c16-12-4-2-1-3-11(12)9-19-15(20)8-10-5-6-13(17)14(18)7-10/h1-7H,8-9H2,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.485 kcal/mol

Physical Properties
Molecular Weight: 328.626 g/mol	logS: -5.56325	SlogP: 4.77207	Reactive groups: 0

Topological Properties
Globularity: 0.0396643	Sterimol/B1: 3.16896	Sterimol/B2: 3.30734	Sterimol/B3: 3.51557
Sterimol/B4: 5.86246	Sterimol/L: 17.4459

Surface and Volume Properties
Accessible surface: 547.732	Positive charged surface: 230.054	Negative charged surface: 317.678	Volume: 281.625
Hydrophobic surface: 504.014	Hydrophilic surface: 43.718

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.