MMsINC Database Search


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MMsINC code: MMs02660736

Type: Neutral
Formula: C₁₅H₈Cl₂N₂O₂

SMILES:

Clc1cc2nc(oc2cc1)Cc1oc2c(n1)cc(Cl)cc2

InChI:

InChI=1/C15H8Cl2N2O2/c16-8-1-3-12-10(5-8)18-14(20-12)7-15-19-11-6-9(17)2-4-13(11)21-15/h1-6H,7H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.3051 kcal/mol

Physical Properties
Molecular Weight: 319.147 g/mol	logS: -5.58005	SlogP: 4.86657	Reactive groups: 0

Topological Properties
Globularity: 0.124106	Sterimol/B1: 2.93353	Sterimol/B2: 3.24785	Sterimol/B3: 4.77704
Sterimol/B4: 5.55682	Sterimol/L: 16.3103

Surface and Volume Properties
Accessible surface: 528.9	Positive charged surface: 235.589	Negative charged surface: 293.311	Volume: 264.375
Hydrophobic surface: 435.816	Hydrophilic surface: 93.084

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.