MMsINC Database Search


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MMsINC code: MMs02994759

Type: Neutral
Formula: C₂₀H₁₄Cl₂N₂O

SMILES:

Clc1cc(-c2[nH]c3c(n2)cccc3)c(OCc2ccc(Cl)cc2)cc1

InChI:

InChI=1/C20H14Cl2N2O/c21-14-7-5-13(6-8-14)12-25-19-10-9-15(22)11-16(19)20-23-17-3-1-2-4-18(17)24-20/h1-11H,12H2,(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.376 kcal/mol

Physical Properties
Molecular Weight: 369.251 g/mol	logS: -7.7771	SlogP: 6.3821	Reactive groups: 0

Topological Properties
Globularity: 0.0673128	Sterimol/B1: 2.98044	Sterimol/B2: 3.61874	Sterimol/B3: 3.61915
Sterimol/B4: 11.1436	Sterimol/L: 14.3641

Surface and Volume Properties
Accessible surface: 605.696	Positive charged surface: 274.465	Negative charged surface: 331.232	Volume: 330.875
Hydrophobic surface: 572.967	Hydrophilic surface: 32.729

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.