MMsINC Database Search


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MMsINC code: MMs02155662

Type: Neutral
Formula: C₁₆H₁₄Cl₂N₂O₄

SMILES:

Clc1cc(NC(=O)NC(=O)c2c(OC)cccc2OC)cc(Cl)c1

InChI:

InChI=1/C16H14Cl2N2O4/c1-23-12-4-3-5-13(24-2)14(12)15(21)20-16(22)19-11-7-9(17)6-10(18)8-11/h3-8H,1-2H3,(H2,19,20,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.2596 kcal/mol

Physical Properties
Molecular Weight: 369.204 g/mol	logS: -5.15274	SlogP: 3.9725	Reactive groups: 0

Topological Properties
Globularity: 0.0581145	Sterimol/B1: 2.30567	Sterimol/B2: 3.89249	Sterimol/B3: 4.28735
Sterimol/B4: 9.51287	Sterimol/L: 16.6204

Surface and Volume Properties
Accessible surface: 610.872	Positive charged surface: 335.416	Negative charged surface: 275.456	Volume: 311.625
Hydrophobic surface: 513.801	Hydrophilic surface: 97.071

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.