MMsINC Database Search


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MMsINC code: MMs02739199

Type: Neutral
Formula: C₁₈H₁₄Cl₂N₂O₂

SMILES:

Clc1cccc(Cl)c1-c1noc(C)c1C(=O)Nc1ccc(cc1)C

InChI:

InChI=1/C18H14Cl2N2O2/c1-10-6-8-12(9-7-10)21-18(23)15-11(2)24-22-17(15)16-13(19)4-3-5-14(16)20/h3-9H,1-2H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.4217 kcal/mol

Physical Properties
Molecular Weight: 361.228 g/mol	logS: -6.65229	SlogP: 5.51754	Reactive groups: 0

Topological Properties
Globularity: 0.119977	Sterimol/B1: 4.45826	Sterimol/B2: 4.54954	Sterimol/B3: 5.19658
Sterimol/B4: 7.32348	Sterimol/L: 14.0441

Surface and Volume Properties
Accessible surface: 579.875	Positive charged surface: 260.32	Negative charged surface: 319.554	Volume: 317
Hydrophobic surface: 540.865	Hydrophilic surface: 39.01

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.