MMsINC Database Search


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MMsINC code: MMs02673575

Type: Neutral
Formula: C₁₆H₁₀Cl₂N₂O₂

SMILES:

Clc1cc(Cl)c2c(nccc2)c1OC(=O)Nc1ccccc1

InChI:

InChI=1/C16H10Cl2N2O2/c17-12-9-13(18)15(14-11(12)7-4-8-19-14)22-16(21)20-10-5-2-1-3-6-10/h1-9H,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.0341 kcal/mol

Physical Properties
Molecular Weight: 333.174 g/mol	logS: -5.45324	SlogP: 5.1525	Reactive groups: 0

Topological Properties
Globularity: 0.0734369	Sterimol/B1: 2.73847	Sterimol/B2: 3.92115	Sterimol/B3: 4.35293
Sterimol/B4: 6.47121	Sterimol/L: 15.3833

Surface and Volume Properties
Accessible surface: 534.925	Positive charged surface: 243.278	Negative charged surface: 285.683	Volume: 282.625
Hydrophobic surface: 478.421	Hydrophilic surface: 56.504

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.