MMsINC Database Search


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MMsINC code: MMs00114645

Type: Neutral
Formula: C₁₂H₁₀Cl₂N₂O₂

SMILES:

Clc1cccc(Cl)c1-c1noc(C)c1C(=O)NC

InChI:

InChI=1/C12H10Cl2N2O2/c1-6-9(12(17)15-2)11(16-18-6)10-7(13)4-3-5-8(10)14/h3-5H,1-2H3,(H,15,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.0147 kcal/mol

Physical Properties
Molecular Weight: 285.13 g/mol	logS: -4.35451	SlogP: 3.31642	Reactive groups: 0

Topological Properties
Globularity: 0.171168	Sterimol/B1: 3.116	Sterimol/B2: 4.39061	Sterimol/B3: 4.55751
Sterimol/B4: 6.48175	Sterimol/L: 12.1035

Surface and Volume Properties
Accessible surface: 463.619	Positive charged surface: 227.025	Negative charged surface: 236.595	Volume: 238.125
Hydrophobic surface: 412.551	Hydrophilic surface: 51.068

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.