MMsINC Database Search


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MMsINC code: MMs00268518

Type: Neutral
Formula: C₁₅H₁₄Cl₂N₂O₄

SMILES:

Clc1cccc(Cl)c1-c1noc(C)c1C(=O)NCC(OCC)=O

InChI:

InChI=1/C15H14Cl2N2O4/c1-3-22-11(20)7-18-15(21)12-8(2)23-19-14(12)13-9(16)5-4-6-10(13)17/h4-6H,3,7H2,1-2H3,(H,18,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.5386 kcal/mol

Physical Properties
Molecular Weight: 357.193 g/mol	logS: -5.08989	SlogP: 3.24972	Reactive groups: 1

Topological Properties
Globularity: 0.115633	Sterimol/B1: 4.52226	Sterimol/B2: 4.94001	Sterimol/B3: 5.41414
Sterimol/B4: 7.12678	Sterimol/L: 14.3262

Surface and Volume Properties
Accessible surface: 586.433	Positive charged surface: 296.369	Negative charged surface: 290.064	Volume: 298.875
Hydrophobic surface: 472.83	Hydrophilic surface: 113.603

Pharmacophoric Properties
Hydrogen bond donors: 1	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.