MMsINC Database Search


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MMsINC code: MMs01225166

Type: Neutral
Formula: C₂₃H₁₇NO₂

SMILES:

OC(=O)c1cc(nc2c1cccc2)-c1ccc(cc1)Cc1ccccc1

InChI:

InChI=1/C23H17NO2/c25-23(26)20-15-22(24-21-9-5-4-8-19(20)21)18-12-10-17(11-13-18)14-16-6-2-1-3-7-16/h1-13,15H,14H2,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.6491 kcal/mol

Physical Properties
Molecular Weight: 339.394 g/mol	logS: -6.45438	SlogP: 5.19077	Reactive groups: 0

Topological Properties
Globularity: 0.059698	Sterimol/B1: 2.39989	Sterimol/B2: 4.72859	Sterimol/B3: 5.71163
Sterimol/B4: 6.03061	Sterimol/L: 17.1746

Surface and Volume Properties
Accessible surface: 601.55	Positive charged surface: 320.363	Negative charged surface: 270.115	Volume: 335.25
Hydrophobic surface: 493.935	Hydrophilic surface: 107.615

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: 1

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Ions/Tautomers related molecules

MMs01225167
ENAMINE-ZINC00137098