MMsINC Database Search


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MMsINC code: MMs02147942

Type: Neutral
Formula: C₂₀H₁₈Cl₂N₄O₂

SMILES:

Clc1cccc(Cl)c1C(=O)Nc1ccccc1C(=O)Nc1c(n(nc1C)C)C

InChI:

InChI=1/C20H18Cl2N4O2/c1-11-18(12(2)26(3)25-11)24-19(27)13-7-4-5-10-16(13)23-20(28)17-14(21)8-6-9-15(17)22/h4-10H,1-3H3,(H,23,28)(H,24,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.175 kcal/mol

Physical Properties
Molecular Weight: 417.296 g/mol	logS: -5.75027	SlogP: 5.20754	Reactive groups: 0

Topological Properties
Globularity: 0.119065	Sterimol/B1: 2.33393	Sterimol/B2: 4.06997	Sterimol/B3: 6.92797
Sterimol/B4: 8.4877	Sterimol/L: 15.1733

Surface and Volume Properties
Accessible surface: 645.081	Positive charged surface: 342.15	Negative charged surface: 302.931	Volume: 370
Hydrophobic surface: 578.591	Hydrophilic surface: 66.49

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.