MMsINC Database Search


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MMsINC code: MMs01126547

Type: Neutral
Formula: C₂₀H₁₈Cl₂N₂O₂

SMILES:

Clc1cccc(Cl)c1NC(=O)N(Cc1ccccc1)Cc1oc(cc1)C

InChI:

InChI=1/C20H18Cl2N2O2/c1-14-10-11-16(26-14)13-24(12-15-6-3-2-4-7-15)20(25)23-19-17(21)8-5-9-18(19)22/h2-11H,12-13H2,1H3,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.7944 kcal/mol

Physical Properties
Molecular Weight: 389.282 g/mol	logS: -6.39154	SlogP: 6.66192	Reactive groups: 0

Topological Properties
Globularity: 0.0926844	Sterimol/B1: 3.03306	Sterimol/B2: 4.54572	Sterimol/B3: 5.15486
Sterimol/B4: 8.18514	Sterimol/L: 15.1507

Surface and Volume Properties
Accessible surface: 616.373	Positive charged surface: 305.554	Negative charged surface: 310.818	Volume: 355.625
Hydrophobic surface: 577.497	Hydrophilic surface: 38.876

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.