MMsINC Database Search


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MMsINC code: MMs01080163

Type: Neutral
Formula: C₂₄H₁₉NO₂

SMILES:

O(C(=O)c1cc(nc2c1cccc2)-c1ccccc1)c1cccc(C)c1C

InChI:

InChI=1/C24H19NO2/c1-16-9-8-14-23(17(16)2)27-24(26)20-15-22(18-10-4-3-5-11-18)25-21-13-7-6-12-19(20)21/h3-15H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=127.495 kcal/mol

Physical Properties
Molecular Weight: 353.421 g/mol	logS: -7.11705	SlogP: 5.73784	Reactive groups: 0

Topological Properties
Globularity: 0.0868253	Sterimol/B1: 2.334	Sterimol/B2: 5.1926	Sterimol/B3: 6.10299
Sterimol/B4: 7.99457	Sterimol/L: 16.5095

Surface and Volume Properties
Accessible surface: 621.364	Positive charged surface: 334.701	Negative charged surface: 276.254	Volume: 352.875
Hydrophobic surface: 584.655	Hydrophilic surface: 36.709

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.