MMsINC Database Search


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MMsINC code: MMs00043480

Type: Neutral
Formula: C₁₁H₈Cl₂N₂O₂

SMILES:

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

InChI:

InChI=1/C11H8Cl2N2O2/c1-5-8(11(14)16)10(15-17-5)9-6(12)3-2-4-7(9)13/h2-4H,1H3,(H2,14,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.2979 kcal/mol

Physical Properties
Molecular Weight: 271.103 g/mol	logS: -4.4605	SlogP: 3.05572	Reactive groups: 0

Topological Properties
Globularity: 0.148343	Sterimol/B1: 3.80314	Sterimol/B2: 3.89413	Sterimol/B3: 4.17063
Sterimol/B4: 4.52397	Sterimol/L: 12.3875

Surface and Volume Properties
Accessible surface: 432.224	Positive charged surface: 179.735	Negative charged surface: 252.489	Volume: 218.25
Hydrophobic surface: 330.819	Hydrophilic surface: 101.405

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.