MMsINC Database Search


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MMsINC code: MMs02747476

Type: Neutral
Formula: C₂₀H₁₂Cl₂N₂O₂

SMILES:

Clc1ccc(Cl)cc1C(=O)Nc1ccc(cc1)-c1oc2c(n1)cccc2

InChI:

InChI=1/C20H12Cl2N2O2/c21-13-7-10-16(22)15(11-13)19(25)23-14-8-5-12(6-9-14)20-24-17-3-1-2-4-18(17)26-20/h1-11H,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.1481 kcal/mol

Physical Properties
Molecular Weight: 383.234 g/mol	logS: -8.13912	SlogP: 6.0539	Reactive groups: 0

Topological Properties
Globularity: 0.00793524	Sterimol/B1: 2.96826	Sterimol/B2: 3.29249	Sterimol/B3: 4.06393
Sterimol/B4: 5.27071	Sterimol/L: 20.1373

Surface and Volume Properties
Accessible surface: 623.728	Positive charged surface: 277.612	Negative charged surface: 346.115	Volume: 331.5
Hydrophobic surface: 557.202	Hydrophilic surface: 66.526

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.