MMsINC Database Search


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MMsINC code: MMs00788061

Type: Neutral
Formula: C₂₄H₁₉NO

SMILES:

O=C(\C=C\c1c2c(n(c1)Cc1ccccc1)cccc2)c1ccccc1

InChI:

InChI=1/C24H19NO/c26-24(20-11-5-2-6-12-20)16-15-21-18-25(17-19-9-3-1-4-10-19)23-14-8-7-13-22(21)23/h1-16,18H,17H2/b16-15+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.2608 kcal/mol

Physical Properties
Molecular Weight: 337.422 g/mol	logS: -5.91532	SlogP: 5.8521	Reactive groups: 1

Topological Properties
Globularity: 0.0501706	Sterimol/B1: 2.26414	Sterimol/B2: 2.62256	Sterimol/B3: 5.17562
Sterimol/B4: 9.73393	Sterimol/L: 16.995

Surface and Volume Properties
Accessible surface: 620.881	Positive charged surface: 308.777	Negative charged surface: 306.529	Volume: 349.875
Hydrophobic surface: 565.951	Hydrophilic surface: 54.93

Pharmacophoric Properties
Hydrogen bond donors: 0	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.