MMsINC Database Search


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MMsINC code: MMs00688982

Type: Neutral
Formula: C₁₉H₁₆Cl₂N₂O₂

SMILES:

Clc1cccc(Cl)c1-c1noc(C)c1C(=O)Nc1ccc(cc1C)C

InChI:

InChI=1/C19H16Cl2N2O2/c1-10-7-8-15(11(2)9-10)22-19(24)16-12(3)25-23-18(16)17-13(20)5-4-6-14(17)21/h4-9H,1-3H3,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.8965 kcal/mol

Physical Properties
Molecular Weight: 375.255 g/mol	logS: -6.81276	SlogP: 5.82596	Reactive groups: 0

Topological Properties
Globularity: 0.170584	Sterimol/B1: 4.28808	Sterimol/B2: 5.07479	Sterimol/B3: 5.40377
Sterimol/B4: 7.08446	Sterimol/L: 13.8625

Surface and Volume Properties
Accessible surface: 590.357	Positive charged surface: 270.766	Negative charged surface: 319.591	Volume: 335.875
Hydrophobic surface: 555.295	Hydrophilic surface: 35.062

Pharmacophoric Properties
Hydrogen bond donors: 1	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.