MMsINC Database Search


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MMsINC code: MMs00712805

Type: Neutral
Formula: C₁₆H₁₆Cl₂N₂O₂

SMILES:

Clc1cc(NC(=O)NCCc2ccc(OC)cc2)ccc1Cl

InChI:

InChI=1/C16H16Cl2N2O2/c1-22-13-5-2-11(3-6-13)8-9-19-16(21)20-12-4-7-14(17)15(18)10-12/h2-7,10H,8-9H2,1H3,(H2,19,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.219 kcal/mol

Physical Properties
Molecular Weight: 339.222 g/mol	logS: -4.77652	SlogP: 4.36617	Reactive groups: 0

Topological Properties
Globularity: 0.036353	Sterimol/B1: 3.0907	Sterimol/B2: 3.50941	Sterimol/B3: 3.88851
Sterimol/B4: 5.31078	Sterimol/L: 19.8455

Surface and Volume Properties
Accessible surface: 595.522	Positive charged surface: 325.602	Negative charged surface: 269.92	Volume: 302
Hydrophobic surface: 518.758	Hydrophilic surface: 76.764

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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.