MMsINC Database Search


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MMsINC code: MMs03139700

Type: Neutral
Formula: C₁₉H₁₆Cl₂N₂O₂

SMILES:

Clc1cccc(Cl)c1-c1noc(C)c1C(=O)NC(C)c1ccccc1

InChI:

InChI=1/C19H16Cl2N2O2/c1-11(13-7-4-3-5-8-13)22-19(24)16-12(2)25-23-18(16)17-14(20)9-6-10-15(17)21/h3-11H,1-2H3,(H,22,24)/t11-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.1111 kcal/mol

Physical Properties
Molecular Weight: 375.255 g/mol	logS: -6.44962	SlogP: 5.54332	Reactive groups: 0

Topological Properties
Globularity: 0.202471	Sterimol/B1: 2.44557	Sterimol/B2: 4.43118	Sterimol/B3: 5.06395
Sterimol/B4: 9.52541	Sterimol/L: 13.7751

Surface and Volume Properties
Accessible surface: 587.297	Positive charged surface: 265.257	Negative charged surface: 322.041	Volume: 335
Hydrophobic surface: 533.524	Hydrophilic surface: 53.773

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.