MMsINC Database Search


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MMsINC code: MMs02148578

Type: Neutral
Formula: C₁₆H₁₄Cl₂N₂O₃

SMILES:

Clc1cc(Cl)ccc1C(=O)Nc1cc(OC)ccc1NC(=O)C

InChI:

InChI=1/C16H14Cl2N2O3/c1-9(21)19-14-6-4-11(23-2)8-15(14)20-16(22)12-5-3-10(17)7-13(12)18/h3-8H,1-2H3,(H,19,21)(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.62 kcal/mol

Physical Properties
Molecular Weight: 353.205 g/mol	logS: -5.08328	SlogP: 4.2127	Reactive groups: 0

Topological Properties
Globularity: 0.0203307	Sterimol/B1: 2.19458	Sterimol/B2: 2.86067	Sterimol/B3: 2.88965
Sterimol/B4: 10.319	Sterimol/L: 15.8909

Surface and Volume Properties
Accessible surface: 571.36	Positive charged surface: 294.278	Negative charged surface: 277.082	Volume: 301.375
Hydrophobic surface: 496.347	Hydrophilic surface: 75.013

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.