MMsINC Database Search


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MMsINC code: MMs02215409

Type: Neutral
Formula: C₁₅H₁₄Cl₂N₂O

SMILES:

Clc1cc(C)c(NC(=O)Nc2ccc(Cl)cc2C)cc1

InChI:

InChI=1/C15H14Cl2N2O/c1-9-7-11(16)3-5-13(9)18-15(20)19-14-6-4-12(17)8-10(14)2/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)=62.4406 kcal/mol

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

Topological Properties
Globularity: 0.0193825	Sterimol/B1: 1.98162	Sterimol/B2: 2.604	Sterimol/B3: 2.6663
Sterimol/B4: 6.83343	Sterimol/L: 16.6566

Surface and Volume Properties
Accessible surface: 531.906	Positive charged surface: 241.198	Negative charged surface: 290.708	Volume: 275.875
Hydrophobic surface: 491.306	Hydrophilic surface: 40.6

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.