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MMsINC code: MMs02834560

Type: Neutral
Formula: C₁₇H₁₂Cl₂N₂O₃

SMILES:

ClC1=C(Nc2ccccc2O)C(=O)N(Cc2ccc(Cl)cc2)C1=O

InChI:

InChI=1/C17H12Cl2N2O3/c18-11-7-5-10(6-8-11)9-21-16(23)14(19)15(17(21)24)20-12-3-1-2-4-13(12)22/h1-8,20,22H,9H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.6167 kcal/mol

Physical Properties
Molecular Weight: 363.2 g/mol	logS: -5.32651	SlogP: 3.8522	Reactive groups: 1

Topological Properties
Globularity: 0.123446	Sterimol/B1: 2.53797	Sterimol/B2: 4.68282	Sterimol/B3: 5.20503
Sterimol/B4: 5.97854	Sterimol/L: 16.2625

Surface and Volume Properties
Accessible surface: 571.359	Positive charged surface: 251.587	Negative charged surface: 319.771	Volume: 306.125
Hydrophobic surface: 448.879	Hydrophilic surface: 122.48

Pharmacophoric Properties
Hydrogen bond donors: 2	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.