MMsINC Database Search


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MMsINC code: MMs02216306

Type: Neutral
Formula: C₁₅H₁₂Cl₂N₂O₃

SMILES:

Clc1c(NC(Oc2ccc(NC(=O)C)cc2)=O)cccc1Cl

InChI:

InChI=1/C15H12Cl2N2O3/c1-9(20)18-10-5-7-11(8-6-10)22-15(21)19-13-4-2-3-12(16)14(13)17/h2-8H,1H3,(H,18,20)(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.791 kcal/mol

Physical Properties
Molecular Weight: 339.178 g/mol	logS: -5.07415	SlogP: 4.5627	Reactive groups: 0

Topological Properties
Globularity: 0.0469991	Sterimol/B1: 3.32578	Sterimol/B2: 3.42232	Sterimol/B3: 4.13177
Sterimol/B4: 5.67156	Sterimol/L: 18.365

Surface and Volume Properties
Accessible surface: 562.535	Positive charged surface: 265.598	Negative charged surface: 296.938	Volume: 284
Hydrophobic surface: 463.62	Hydrophilic surface: 98.915

Pharmacophoric Properties
Hydrogen bond donors: 2	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.