MMsINC Database Search


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MMsINC code: MMs00913840

Type: Neutral
Formula: C₂₄H₂₁NO₂

SMILES:

O(CCn1cc(c2c1cccc2)C(=O)c1ccccc1)c1ccccc1C

InChI:

InChI=1/C24H21NO2/c1-18-9-5-8-14-23(18)27-16-15-25-17-21(20-12-6-7-13-22(20)25)24(26)19-10-3-2-4-11-19/h2-14,17H,15-16H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.384 kcal/mol

Physical Properties
Molecular Weight: 355.437 g/mol	logS: -5.64679	SlogP: 5.52612	Reactive groups: 0

Topological Properties
Globularity: 0.108558	Sterimol/B1: 2.05762	Sterimol/B2: 4.89347	Sterimol/B3: 6.71908
Sterimol/B4: 8.34493	Sterimol/L: 16.4307

Surface and Volume Properties
Accessible surface: 648.705	Positive charged surface: 364.276	Negative charged surface: 278.93	Volume: 363.625
Hydrophobic surface: 611.096	Hydrophilic surface: 37.609

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.