MMsINC Database Search


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MMsINC code: MMs02253246

Type: Neutral
Formula: C₂₄H₂₂O₂

SMILES:

OCC(C(c1c2c(ccc1)cccc2)c1c2c(ccc1)cccc2)CO

InChI:

InChI=1/C24H22O2/c25-15-19(16-26)24(22-13-5-9-17-7-1-3-11-20(17)22)23-14-6-10-18-8-2-4-12-21(18)23/h1-14,19,24-26H,15-16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=141.627 kcal/mol

Physical Properties
Molecular Weight: 342.438 g/mol	logS: -6.48938	SlogP: 4.7257	Reactive groups: 0

Topological Properties
Globularity: 0.340425	Sterimol/B1: 2.323	Sterimol/B2: 3.93704	Sterimol/B3: 4.67023
Sterimol/B4: 7.42884	Sterimol/L: 12.9435

Surface and Volume Properties
Accessible surface: 563.966	Positive charged surface: 354.884	Negative charged surface: 197.709	Volume: 344
Hydrophobic surface: 502.33	Hydrophilic surface: 61.636

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.