MMsINC Database Search


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MMsINC code: MMs00801398

Type: Neutral
Formula: C₂₄H₁₉NO₂

SMILES:

O(Cc1ccccc1)c1ccccc1\C=C\c1nc2c(cc1)cccc2O

InChI:

InChI=1/C24H19NO2/c26-22-11-6-10-20-14-16-21(25-24(20)22)15-13-19-9-4-5-12-23(19)27-17-18-7-2-1-3-8-18/h1-16,26H,17H2/b15-13+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.057 kcal/mol

Physical Properties
Molecular Weight: 353.421 g/mol	logS: -5.82995	SlogP: 5.9562	Reactive groups: 0

Topological Properties
Globularity: 0.0408694	Sterimol/B1: 2.55937	Sterimol/B2: 3.61583	Sterimol/B3: 3.6391
Sterimol/B4: 11.5495	Sterimol/L: 14.4764

Surface and Volume Properties
Accessible surface: 641.59	Positive charged surface: 354.29	Negative charged surface: 282.462	Volume: 356.875
Hydrophobic surface: 579.006	Hydrophilic surface: 62.584

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.