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MMsINC code: MMs01929737

Type: Neutral
Formula: C₂₁H₂₀Cl₂N₂O₂

SMILES:

Clc1ccccc1CNCc1cc(OC)c(OCc2ccc(Cl)nc2)cc1

InChI:

InChI=1/C21H20Cl2N2O2/c1-26-20-10-15(11-24-13-17-4-2-3-5-18(17)22)6-8-19(20)27-14-16-7-9-21(23)25-12-16/h2-10,12,24H,11,13-14H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.1161 kcal/mol

Physical Properties
Molecular Weight: 403.309 g/mol	logS: -5.28364	SlogP: 6.065	Reactive groups: 0

Topological Properties
Globularity: 0.0825555	Sterimol/B1: 2.20145	Sterimol/B2: 3.53625	Sterimol/B3: 5.074
Sterimol/B4: 8.13465	Sterimol/L: 20.5214

Surface and Volume Properties
Accessible surface: 690.294	Positive charged surface: 390.709	Negative charged surface: 299.585	Volume: 371.75
Hydrophobic surface: 628.031	Hydrophilic surface: 62.263

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs01929738
IBS-ZINC05205728