MMsINC Database Search


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MMsINC code: MMs01233804

Type: Neutral
Formula: C₁₅H₁₂Cl₂N₂O₃

SMILES:

Clc1cc(ccc1)C(=O)NNC(=O)COc1ccc(Cl)cc1

InChI:

InChI=1/C15H12Cl2N2O3/c16-11-4-6-13(7-5-11)22-9-14(20)18-19-15(21)10-2-1-3-12(17)8-10/h1-8H,9H2,(H,18,20)(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.9752 kcal/mol

Physical Properties
Molecular Weight: 339.178 g/mol	logS: -5.1288	SlogP: 2.8334	Reactive groups: 0

Topological Properties
Globularity: 0.00193076	Sterimol/B1: 2.37316	Sterimol/B2: 2.37695	Sterimol/B3: 3.10457
Sterimol/B4: 5.99834	Sterimol/L: 19.9406

Surface and Volume Properties
Accessible surface: 570.356	Positive charged surface: 236.023	Negative charged surface: 334.332	Volume: 290.375
Hydrophobic surface: 460.246	Hydrophilic surface: 110.11

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.