MMsINC Database Search


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MMsINC code: MMs02155660

Type: Neutral
Formula: C₁₈H₁₂Cl₂N₄O₃

SMILES:

Clc1cccc(Cl)c1C(=O)NC(=O)Nc1ccc(Oc2cccnc2)nc1

InChI:

InChI=1/C18H12Cl2N4O3/c19-13-4-1-5-14(20)16(13)17(25)24-18(26)23-11-6-7-15(22-9-11)27-12-3-2-8-21-10-12/h1-10H,(H2,23,24,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.5918 kcal/mol

Physical Properties
Molecular Weight: 403.225 g/mol	logS: -4.62967	SlogP: 4.5376	Reactive groups: 0

Topological Properties
Globularity: 0.0284809	Sterimol/B1: 2.56004	Sterimol/B2: 3.69612	Sterimol/B3: 3.87759
Sterimol/B4: 5.26648	Sterimol/L: 20.0285

Surface and Volume Properties
Accessible surface: 638.662	Positive charged surface: 339.797	Negative charged surface: 298.865	Volume: 336.75
Hydrophobic surface: 531.771	Hydrophilic surface: 106.891

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.