MMsINC Database Search


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MMsINC code: MMs03180850

Type: Neutral
Formula: C₂₄H₁₈N₂O

SMILES:

OC(c1ccccc1)(c1ccccc1)c1[nH]c2c(n1)cc1c(c2)cccc1

InChI:

InChI=1/C24H18N2O/c27-24(19-11-3-1-4-12-19,20-13-5-2-6-14-20)23-25-21-15-17-9-7-8-10-18(17)16-22(21)26-23/h1-16,27H,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.033 kcal/mol

Physical Properties
Molecular Weight: 350.421 g/mol	logS: -6.8211	SlogP: 5.3118	Reactive groups: 0

Topological Properties
Globularity: 0.113073	Sterimol/B1: 2.42532	Sterimol/B2: 4.0479	Sterimol/B3: 4.44494
Sterimol/B4: 9.18944	Sterimol/L: 15.2319

Surface and Volume Properties
Accessible surface: 615.991	Positive charged surface: 328.673	Negative charged surface: 274.839	Volume: 346.75
Hydrophobic surface: 564.473	Hydrophilic surface: 51.518

Pharmacophoric Properties
Hydrogen bond donors: 3	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: 0

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Ions/Tautomers related molecules: no related molecules available.