MMsINC Database Search


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MMsINC code: MMs03247777

Type: Neutral
Formula: C₂₀H₁₅NO₂

SMILES:

o1cc(nc1-c1ccccc1)-c1c2c(cccc2)c(OC)cc1

InChI:

InChI=1/C20H15NO2/c1-22-19-12-11-16(15-9-5-6-10-17(15)19)18-13-23-20(21-18)14-7-3-2-4-8-14/h2-13H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.6273 kcal/mol

Physical Properties
Molecular Weight: 301.345 g/mol	logS: -7.20851	SlogP: 5.1704	Reactive groups: 0

Topological Properties
Globularity: 0.0388969	Sterimol/B1: 2.56018	Sterimol/B2: 3.1431	Sterimol/B3: 3.99832
Sterimol/B4: 6.76831	Sterimol/L: 17.3667

Surface and Volume Properties
Accessible surface: 547.959	Positive charged surface: 318.663	Negative charged surface: 218.501	Volume: 297
Hydrophobic surface: 521.355	Hydrophilic surface: 26.604

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.