MMsINC Database Search


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MMsINC code: MMs02423444

Type: Neutral
Formula: C₂₄H₁₉NO

SMILES:

O=C(\C=C(/c1c2c([nH]c1C)cccc2)\c1ccccc1)c1ccccc1

InChI:

InChI=1/C24H19NO/c1-17-24(20-14-8-9-15-22(20)25-17)21(18-10-4-2-5-11-18)16-23(26)19-12-6-3-7-13-19/h2-16,25H,1H3/b21-16+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.756 kcal/mol

Physical Properties
Molecular Weight: 337.422 g/mol	logS: -6.34429	SlogP: 5.60821	Reactive groups: 1

Topological Properties
Globularity: 0.245079	Sterimol/B1: 2.30463	Sterimol/B2: 5.34737	Sterimol/B3: 6.94044
Sterimol/B4: 8.04434	Sterimol/L: 15.1396

Surface and Volume Properties
Accessible surface: 600.937	Positive charged surface: 325.705	Negative charged surface: 270.266	Volume: 346.25
Hydrophobic surface: 562.51	Hydrophilic surface: 38.427

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