MMsINC Database Search


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MMsINC code: MMs02657766

Type: Neutral
Formula: C₁₉H₁₇NO₂

SMILES:

O(Cc1ccccc1)c1nc(OCc2ccccc2)ccc1

InChI:

InChI=1/C19H17NO2/c1-3-8-16(9-4-1)14-21-18-12-7-13-19(20-18)22-15-17-10-5-2-6-11-17/h1-13H,14-15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.0698 kcal/mol

Physical Properties
Molecular Weight: 291.35 g/mol	logS: -4.38582	SlogP: 4.7724	Reactive groups: 0

Topological Properties
Globularity: 0.079714	Sterimol/B1: 2.097	Sterimol/B2: 3.61719	Sterimol/B3: 3.61824
Sterimol/B4: 8.50025	Sterimol/L: 17.2043

Surface and Volume Properties
Accessible surface: 584.871	Positive charged surface: 332.153	Negative charged surface: 252.719	Volume: 300.875
Hydrophobic surface: 543.869	Hydrophilic surface: 41.002

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.