MMsINC Database Search


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MMsINC code: MMs01819848

Type: Neutral
Formula: C₂₀H₁₁Cl₃N₂O

SMILES:

Clc1cc(Cl)ccc1-c1nc(Oc2ccc(Cl)cc2)c2c(n1)cccc2

InChI:

InChI=1/C20H11Cl3N2O/c21-12-5-8-14(9-6-12)26-20-16-3-1-2-4-18(16)24-19(25-20)15-10-7-13(22)11-17(15)23/h1-11H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.4352 kcal/mol

Physical Properties
Molecular Weight: 401.68 g/mol	logS: -9.11692	SlogP: 7.0493	Reactive groups: 0

Topological Properties
Globularity: 0.0717233	Sterimol/B1: 3.5362	Sterimol/B2: 3.54775	Sterimol/B3: 3.71848
Sterimol/B4: 9.34561	Sterimol/L: 14.9833

Surface and Volume Properties
Accessible surface: 608.557	Positive charged surface: 236.829	Negative charged surface: 360.479	Volume: 338.375
Hydrophobic surface: 582.577	Hydrophilic surface: 25.98

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.