MMsINC Database Search


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MMsINC code: MMs02674544

Type: Neutral
Formula: C₁₅H₁₄Cl₂N₂O

SMILES:

Clc1cccc(C)c1NC(=O)Nc1cc(Cl)ccc1C

InChI:

InChI=1/C15H14Cl2N2O/c1-9-6-7-11(16)8-13(9)18-15(20)19-14-10(2)4-3-5-12(14)17/h3-8H,1-2H3,(H2,18,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.5176 kcal/mol

Physical Properties
Molecular Weight: 309.196 g/mol	logS: -5.04157	SlogP: 5.25424	Reactive groups: 0

Topological Properties
Globularity: 0.0842774	Sterimol/B1: 2.37213	Sterimol/B2: 2.72693	Sterimol/B3: 5.30172
Sterimol/B4: 7.18766	Sterimol/L: 14.3682

Surface and Volume Properties
Accessible surface: 516.9	Positive charged surface: 247.099	Negative charged surface: 269.801	Volume: 275.25
Hydrophobic surface: 484.818	Hydrophilic surface: 32.082

Pharmacophoric Properties
Hydrogen bond donors: 2	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.