MMsINC Database Search


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MMsINC code: MMs03011635

Type: Neutral
Formula: C₂₃H₂₃NO₂

SMILES:

O(CCOCCn1c2c(c3c1cccc3)cccc2)c1ccccc1C

InChI:

InChI=1/C23H23NO2/c1-18-8-2-7-13-23(18)26-17-16-25-15-14-24-21-11-5-3-9-19(21)20-10-4-6-12-22(20)24/h2-13H,14-17H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.1375 kcal/mol

Physical Properties
Molecular Weight: 345.442 g/mol	logS: -5.5633	SlogP: 5.46492	Reactive groups: 0

Topological Properties
Globularity: 0.0319568	Sterimol/B1: 2.48701	Sterimol/B2: 3.72447	Sterimol/B3: 4.09021
Sterimol/B4: 7.96684	Sterimol/L: 18.5666

Surface and Volume Properties
Accessible surface: 661.52	Positive charged surface: 405.188	Negative charged surface: 245.367	Volume: 357.5
Hydrophobic surface: 656.977	Hydrophilic surface: 4.543

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.