MMsINC Database Search


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MMsINC code: MMs00583819

Type: Neutral
Formula: C₁₃H₁₀Cl₂N₂O

SMILES:

Clc1cccc(Cl)c1NC(=O)c1ccccc1N

InChI:

InChI=1/C13H10Cl2N2O/c14-9-5-3-6-10(15)12(9)17-13(18)8-4-1-2-7-11(8)16/h1-7H,16H2,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.1957 kcal/mol

Physical Properties
Molecular Weight: 281.142 g/mol	logS: -4.54433	SlogP: 3.8279	Reactive groups: 0

Topological Properties
Globularity: 0.0344274	Sterimol/B1: 3.10998	Sterimol/B2: 3.20171	Sterimol/B3: 3.48699
Sterimol/B4: 5.88414	Sterimol/L: 14.184

Surface and Volume Properties
Accessible surface: 462.473	Positive charged surface: 209.734	Negative charged surface: 252.739	Volume: 240.25
Hydrophobic surface: 395.624	Hydrophilic surface: 66.849

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.