MMsINC Database Search


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MMsINC code: MMs02674542

Type: Neutral
Formula: C₁₅H₁₄Cl₂N₂O

SMILES:

Clc1cccc(Cl)c1NC(=O)Nc1ccc(cc1C)C

InChI:

InChI=1/C15H14Cl2N2O/c1-9-6-7-13(10(2)8-9)18-15(20)19-14-11(16)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)=85.3481 kcal/mol

Physical Properties
Molecular Weight: 309.196 g/mol	logS: -5.35502	SlogP: 5.25424	Reactive groups: 0

Topological Properties
Globularity: 0.0534815	Sterimol/B1: 2.44447	Sterimol/B2: 3.9157	Sterimol/B3: 4.34908
Sterimol/B4: 6.29761	Sterimol/L: 15.5799

Surface and Volume Properties
Accessible surface: 526.778	Positive charged surface: 256.933	Negative charged surface: 269.846	Volume: 272.875
Hydrophobic surface: 491.055	Hydrophilic surface: 35.723

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.