MMsINC Database Search


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MMsINC code: MMs02347007

Type: Neutral
Formula: C₂₆H₁₇NO₂

SMILES:

OC(=O)c1cc(nc2c1cc1c(c2)cccc1)-c1ccc(cc1)-c1ccccc1

InChI:

InChI=1/C26H17NO2/c28-26(29)23-16-24(19-12-10-18(11-13-19)17-6-2-1-3-7-17)27-25-15-21-9-5-4-8-20(21)14-22(23)25/h1-16H,(H,28,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=126.242 kcal/mol

Physical Properties
Molecular Weight: 375.427 g/mol	logS: -8.64226	SlogP: 6.4202	Reactive groups: 0

Topological Properties
Globularity: 2.89169e-05	Sterimol/B1: 2.10431	Sterimol/B2: 2.10703	Sterimol/B3: 4.33725
Sterimol/B4: 7.38938	Sterimol/L: 20.6184

Surface and Volume Properties
Accessible surface: 644.221	Positive charged surface: 299.578	Negative charged surface: 311.429	Volume: 366.5
Hydrophobic surface: 536.352	Hydrophilic surface: 107.869

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs02347008
NCID-ZINC01722557