MMsINC Database Search


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MMsINC code: MMs02092407

Type: Neutral
Formula: C₁₅H₁₄Cl₂N₂O

SMILES:

Clc1cc(NC(=O)Nc2cc(Cl)c(cc2)C)ccc1C

InChI:

InChI=1/C15H14Cl2N2O/c1-9-3-5-11(7-13(9)16)18-15(20)19-12-6-4-10(2)14(17)8-12/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)=61.5659 kcal/mol

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

Topological Properties
Globularity: 0.0283924	Sterimol/B1: 3.40985	Sterimol/B2: 3.41797	Sterimol/B3: 3.5369
Sterimol/B4: 5.12962	Sterimol/L: 16.3051

Surface and Volume Properties
Accessible surface: 539.589	Positive charged surface: 264.614	Negative charged surface: 274.975	Volume: 274.875
Hydrophobic surface: 479.547	Hydrophilic surface: 60.042

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.