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MMsINC code: MMs03041654

Type: Neutral
Formula: C₁₉H₂₀Cl₂N₂O

SMILES:

Clc1c2[nH]c(-c3ccccc3OC)c(c2ccc1Cl)CCCCN

InChI:

InChI=1/C19H20Cl2N2O/c1-24-16-8-3-2-7-14(16)18-12(6-4-5-11-22)13-9-10-15(20)17(21)19(13)23-18/h2-3,7-10,23H,4-6,11,22H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.341 kcal/mol

Physical Properties
Molecular Weight: 363.288 g/mol	logS: -5.71885	SlogP: 5.43167	Reactive groups: 0

Topological Properties
Globularity: 0.270787	Sterimol/B1: 2.4473	Sterimol/B2: 2.62333	Sterimol/B3: 7.41332
Sterimol/B4: 9.11118	Sterimol/L: 14.4521

Surface and Volume Properties
Accessible surface: 618.493	Positive charged surface: 371.69	Negative charged surface: 242.926	Volume: 339.25
Hydrophobic surface: 533.326	Hydrophilic surface: 85.167

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs03041655
PUBCHEM-ZINC03686818