MMsINC Database Search


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MMsINC code: MMs03538162

Type: Neutral
Formula: C₉H₇Cl₅N₂O₂

SMILES:

Clc1cc(NC(=O)NC(O)C(Cl)(Cl)Cl)ccc1Cl

InChI:

InChI=1/C9H7Cl5N2O2/c10-5-2-1-4(3-6(5)11)15-8(18)16-7(17)9(12,13)14/h1-3,7,17H,(H2,15,16,18)/t7-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.4774 kcal/mol

Physical Properties
Molecular Weight: 352.432 g/mol	logS: -4.98272	SlogP: 4.2234	Reactive groups: 0

Topological Properties
Globularity: 0.0474765	Sterimol/B1: 2.79922	Sterimol/B2: 2.9285	Sterimol/B3: 4.03389
Sterimol/B4: 5.13968	Sterimol/L: 15.6207

Surface and Volume Properties
Accessible surface: 499.213	Positive charged surface: 128.542	Negative charged surface: 370.671	Volume: 252.25
Hydrophobic surface: 243.806	Hydrophilic surface: 255.407

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.