MMsINC Database Search


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MMsINC code: MMs02990261

Type: Neutral
Formula: C₁₉H₁₄Cl₂N₂O₂

SMILES:

Clc1cc(NC(=O)c2ccccc2Nc2ccccc2)cc(Cl)c1O

InChI:

InChI=1/C19H14Cl2N2O2/c20-15-10-13(11-16(21)18(15)24)23-19(25)14-8-4-5-9-17(14)22-12-6-2-1-3-7-12/h1-11,22,24H,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=124.408 kcal/mol

Physical Properties
Molecular Weight: 373.239 g/mol	logS: -6.08182	SlogP: 5.6949	Reactive groups: 0

Topological Properties
Globularity: 0.154192	Sterimol/B1: 2.7522	Sterimol/B2: 3.01268	Sterimol/B3: 5.94705
Sterimol/B4: 9.50361	Sterimol/L: 14.4104

Surface and Volume Properties
Accessible surface: 596.382	Positive charged surface: 278.457	Negative charged surface: 317.926	Volume: 326.875
Hydrophobic surface: 519.73	Hydrophilic surface: 76.652

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 2	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.