MMsINC Database Search


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MMsINC code: MMs02302054

Type: Neutral
Formula: C₁₃H₁₀Cl₂N₂O₂

SMILES:

Clc1cc(NC(=O)Nc2ccc(Cl)cc2)c(O)cc1

InChI:

InChI=1/C13H10Cl2N2O2/c14-8-1-4-10(5-2-8)16-13(19)17-11-7-9(15)3-6-12(11)18/h1-7,18H,(H2,16,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.7548 kcal/mol

Physical Properties
Molecular Weight: 297.141 g/mol	logS: -4.35868	SlogP: 4.343	Reactive groups: 0

Topological Properties
Globularity: 0.0458029	Sterimol/B1: 2.30421	Sterimol/B2: 3.98163	Sterimol/B3: 4.56218
Sterimol/B4: 4.86381	Sterimol/L: 15.5641

Surface and Volume Properties
Accessible surface: 500.778	Positive charged surface: 222.396	Negative charged surface: 278.382	Volume: 247.25
Hydrophobic surface: 401.626	Hydrophilic surface: 99.152

Pharmacophoric Properties
Hydrogen bond donors: 3	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.