MMsINC Database Search


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MMsINC code: MMs02837180

Type: Neutral
Formula: C₁₉H₁₄Cl₂N₂O₄

SMILES:

ClC1=C(Nc2ccc(cc2)C(OC)=O)C(=O)N(C1=O)c1ccc(Cl)cc1C

InChI:

InChI=1/C19H14Cl2N2O4/c1-10-9-12(20)5-8-14(10)23-17(24)15(21)16(18(23)25)22-13-6-3-11(4-7-13)19(26)27-2/h3-9,22H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.069 kcal/mol

Physical Properties
Molecular Weight: 405.237 g/mol	logS: -6.28662	SlogP: 3.97962	Reactive groups: 1

Topological Properties
Globularity: 0.0606745	Sterimol/B1: 2.45474	Sterimol/B2: 4.58363	Sterimol/B3: 5.8652
Sterimol/B4: 6.95396	Sterimol/L: 17.0864

Surface and Volume Properties
Accessible surface: 638.05	Positive charged surface: 298.964	Negative charged surface: 339.086	Volume: 342.25
Hydrophobic surface: 523.459	Hydrophilic surface: 114.591

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.