MMsINC Database Search


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MMsINC code: MMs01416043

Type: Neutral
Formula: C₁₆H₁₄Cl₂N₂O₃

SMILES:

Clc1cc(C)c(NC(=O)COC(=O)c2ccc(Cl)cc2N)cc1

InChI:

InChI=1/C16H14Cl2N2O3/c1-9-6-10(17)3-5-14(9)20-15(21)8-23-16(22)12-4-2-11(18)7-13(12)19/h2-7H,8,19H2,1H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.3548 kcal/mol

Physical Properties
Molecular Weight: 353.205 g/mol	logS: -5.11297	SlogP: 3.67952	Reactive groups: 0

Topological Properties
Globularity: 0.0144591	Sterimol/B1: 2.1052	Sterimol/B2: 2.21846	Sterimol/B3: 3.29952
Sterimol/B4: 6.61619	Sterimol/L: 18.7745

Surface and Volume Properties
Accessible surface: 585.127	Positive charged surface: 283.843	Negative charged surface: 301.283	Volume: 300.75
Hydrophobic surface: 469.596	Hydrophilic surface: 115.531

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.