MMsINC Database Search


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MMsINC code: MMs02521266

Type: Neutral
Formula: C₁₆H₁₂Cl₂N₂O

SMILES:

Clc1ccc(cc1)C1=NCC(=O)N(c2c1cc(Cl)cc2)C

InChI:

InChI=1/C16H12Cl2N2O/c1-20-14-7-6-12(18)8-13(14)16(19-9-15(20)21)10-2-4-11(17)5-3-10/h2-8H,9H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.183 kcal/mol

Physical Properties
Molecular Weight: 319.191 g/mol	logS: -5.26598	SlogP: 3.8072	Reactive groups: 0

Topological Properties
Globularity: 0.153924	Sterimol/B1: 2.10643	Sterimol/B2: 4.04121	Sterimol/B3: 5.18867
Sterimol/B4: 7.1079	Sterimol/L: 13.8915

Surface and Volume Properties
Accessible surface: 510.287	Positive charged surface: 243.389	Negative charged surface: 266.899	Volume: 277.625
Hydrophobic surface: 461.931	Hydrophilic surface: 48.356

Pharmacophoric Properties
Hydrogen bond donors: 0	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.