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MMsINC code: MMs00646988

Type: Neutral
Formula: C₁₉H₁₄Cl₂N₂O₄

SMILES:

ClC1=C(Nc2cc(ccc2)C(OCC)=O)C(=O)N(C1=O)c1ccc(Cl)cc1

InChI:

InChI=1/C19H14Cl2N2O4/c1-2-27-19(26)11-4-3-5-13(10-11)22-16-15(21)17(24)23(18(16)25)14-8-6-12(20)7-9-14/h3-10,22H,2H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.014 kcal/mol

Physical Properties
Molecular Weight: 405.237 g/mol	logS: -6.45336	SlogP: 4.0613	Reactive groups: 1

Topological Properties
Globularity: 0.084435	Sterimol/B1: 3.00132	Sterimol/B2: 4.08391	Sterimol/B3: 4.30367
Sterimol/B4: 9.00515	Sterimol/L: 15.841

Surface and Volume Properties
Accessible surface: 643.787	Positive charged surface: 300.628	Negative charged surface: 343.159	Volume: 342.375
Hydrophobic surface: 508.733	Hydrophilic surface: 135.054

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.