MMsINC Database Search


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MMsINC code: MMs00990380

Type: Neutral
Formula: C₁₉H₁₄Cl₂N₂O

SMILES:

Clc1c(cccc1Cl)C(=O)Nc1ccc(cc1)Cc1ccncc1

InChI:

InChI=1/C19H14Cl2N2O/c20-17-3-1-2-16(18(17)21)19(24)23-15-6-4-13(5-7-15)12-14-8-10-22-11-9-14/h1-11H,12H2,(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.1314 kcal/mol

Physical Properties
Molecular Weight: 357.24 g/mol	logS: -5.68169	SlogP: 5.23147	Reactive groups: 0

Topological Properties
Globularity: 0.0519578	Sterimol/B1: 2.4819	Sterimol/B2: 3.33242	Sterimol/B3: 4.42494
Sterimol/B4: 6.21002	Sterimol/L: 17.6568

Surface and Volume Properties
Accessible surface: 584.055	Positive charged surface: 311.602	Negative charged surface: 272.453	Volume: 321.25
Hydrophobic surface: 540.502	Hydrophilic surface: 43.553

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.