MMsINC Database Search


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MMsINC code: MMs00706877

Type: Neutral
Formula: C₁₉H₁₆Cl₂N₂O₃

SMILES:

Clc1cccc(Cl)c1-c1noc(C)c1C(=O)NCc1ccc(OC)cc1

InChI:

InChI=1/C19H16Cl2N2O3/c1-11-16(18(23-26-11)17-14(20)4-3-5-15(17)21)19(24)22-10-12-6-8-13(25-2)9-7-12/h3-9H,10H2,1-2H3,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.7454 kcal/mol

Physical Properties
Molecular Weight: 391.254 g/mol	logS: -6.17279	SlogP: 5.16182	Reactive groups: 0

Topological Properties
Globularity: 0.12613	Sterimol/B1: 2.10171	Sterimol/B2: 4.34467	Sterimol/B3: 4.9013
Sterimol/B4: 10.2964	Sterimol/L: 14.7283

Surface and Volume Properties
Accessible surface: 621.915	Positive charged surface: 317.647	Negative charged surface: 304.268	Volume: 344.75
Hydrophobic surface: 564.549	Hydrophilic surface: 57.366

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.