MMsINC Database Search


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MMsINC code: MMs02868537

Type: Neutral
Formula: C₁₉H₁₄Cl₄N₂O

SMILES:

Clc1cc(ccc1)C(=O)NC(Nc1c2c(ccc1)cccc2)C(Cl)(Cl)Cl

InChI:

InChI=1/C19H14Cl4N2O/c20-14-8-3-7-13(11-14)17(26)25-18(19(21,22)23)24-16-10-4-6-12-5-1-2-9-15(12)16/h1-11,18,24H,(H,25,26)/t18-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.259 kcal/mol

Physical Properties
Molecular Weight: 428.146 g/mol	logS: -8.02247	SlogP: 6.4513	Reactive groups: 0

Topological Properties
Globularity: 0.164062	Sterimol/B1: 3.09836	Sterimol/B2: 4.2089	Sterimol/B3: 6.28628
Sterimol/B4: 6.5904	Sterimol/L: 15.6826

Surface and Volume Properties
Accessible surface: 622.792	Positive charged surface: 205.925	Negative charged surface: 407.666	Volume: 358
Hydrophobic surface: 446.497	Hydrophilic surface: 176.295

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.