MMsINC Database Search


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MMsINC code: MMs02857545

Type: Neutral
Formula: C₁₈H₁₄Cl₂N₂O₆

SMILES:

Clc1cc(NC(=O)C(=O)Nc2cc(Cl)ccc2C(OC)=O)c(cc1)C(OC)=O

InChI:

InChI=1/C18H14Cl2N2O6/c1-27-17(25)11-5-3-9(19)7-13(11)21-15(23)16(24)22-14-8-10(20)4-6-12(14)18(26)28-2/h3-8H,1-2H3,(H,21,23)(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.842 kcal/mol

Physical Properties
Molecular Weight: 425.224 g/mol	logS: -5.81544	SlogP: 3.1438	Reactive groups: 0

Topological Properties
Globularity: 0.10869	Sterimol/B1: 2.2148	Sterimol/B2: 3.48287	Sterimol/B3: 6.44376
Sterimol/B4: 8.85555	Sterimol/L: 15.2917

Surface and Volume Properties
Accessible surface: 659.26	Positive charged surface: 364.786	Negative charged surface: 294.474	Volume: 350.5
Hydrophobic surface: 528.541	Hydrophilic surface: 130.719

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.