MMsINC Database Search


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MMsINC code: MMs00747630

Type: Neutral
Formula: C₂₄H₂₄ClNO₂

SMILES:

Clc1ccc(OCCOCCn2c3c(c4c2cccc4)cccc3)c(C)c1C

InChI:

InChI=1/C24H24ClNO2/c1-17-18(2)24(12-11-21(17)25)28-16-15-27-14-13-26-22-9-5-3-7-19(22)20-8-4-6-10-23(20)26/h3-12H,13-16H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.5887 kcal/mol

Physical Properties
Molecular Weight: 393.914 g/mol	logS: -6.45806	SlogP: 6.42674	Reactive groups: 0

Topological Properties
Globularity: 0.0325692	Sterimol/B1: 2.96646	Sterimol/B2: 3.882	Sterimol/B3: 4.12861
Sterimol/B4: 7.39033	Sterimol/L: 19.7894

Surface and Volume Properties
Accessible surface: 699.662	Positive charged surface: 404.206	Negative charged surface: 284.491	Volume: 388.25
Hydrophobic surface: 695.12	Hydrophilic surface: 4.542

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.