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MMsINC code: MMs02836436

Type: Neutral
Formula: C₁₈H₁₂Cl₂N₂O₄

SMILES:

ClC1=C(Nc2cc(ccc2)C(OC)=O)C(=O)N(C1=O)c1ccccc1Cl

InChI:

InChI=1/C18H12Cl2N2O4/c1-26-18(25)10-5-4-6-11(9-10)21-15-14(20)16(23)22(17(15)24)13-8-3-2-7-12(13)19/h2-9,21H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.268 kcal/mol

Physical Properties
Molecular Weight: 391.21 g/mol	logS: -6.12615	SlogP: 3.6712	Reactive groups: 1

Topological Properties
Globularity: 0.05488	Sterimol/B1: 3.15671	Sterimol/B2: 3.40098	Sterimol/B3: 4.64545
Sterimol/B4: 6.70117	Sterimol/L: 17.9707

Surface and Volume Properties
Accessible surface: 601.066	Positive charged surface: 284.447	Negative charged surface: 316.618	Volume: 325.375
Hydrophobic surface: 483.813	Hydrophilic surface: 117.253

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.