MMsINC Database Search


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MMsINC code: MMs00552936

Type: Neutral
Formula: C₂₅H₁₇NO

SMILES:

O=C(Nc1cc2c(c3c(c4c2cccc4)cccc3)cc1)c1ccccc1

InChI:

InChI=1/C25H17NO/c27-25(17-8-2-1-3-9-17)26-18-14-15-23-21-12-5-4-10-19(21)20-11-6-7-13-22(20)24(23)16-18/h1-16H,(H,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=135.935 kcal/mol

Physical Properties
Molecular Weight: 347.417 g/mol	logS: -8.98851	SlogP: 6.3985	Reactive groups: 0

Topological Properties
Globularity: 0.00985108	Sterimol/B1: 2.6631	Sterimol/B2: 2.66656	Sterimol/B3: 5.83678
Sterimol/B4: 5.97051	Sterimol/L: 18.2082

Surface and Volume Properties
Accessible surface: 593.784	Positive charged surface: 285.248	Negative charged surface: 280.626	Volume: 345.625
Hydrophobic surface: 557.881	Hydrophilic surface: 35.903

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: 0

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Ions/Tautomers related molecules: no related molecules available.