MMsINC Database Search


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MMsINC code: MMs00297537

Type: Neutral
Formula: C₁₅H₁₃NO₃

SMILES:

o1c2c(nc1-c1cc(OC)c(OC)cc1)cccc2

InChI:

InChI=1/C15H13NO3/c1-17-13-8-7-10(9-14(13)18-2)15-16-11-5-3-4-6-12(11)19-15/h3-9H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.3885 kcal/mol

Physical Properties
Molecular Weight: 255.273 g/mol	logS: -4.80131	SlogP: 3.512	Reactive groups: 0

Topological Properties
Globularity: 0.0070584	Sterimol/B1: 2.37317	Sterimol/B2: 2.38006	Sterimol/B3: 2.5583
Sterimol/B4: 7.23702	Sterimol/L: 15.6952

Surface and Volume Properties
Accessible surface: 498.079	Positive charged surface: 344.632	Negative charged surface: 153.448	Volume: 243.375
Hydrophobic surface: 441.648	Hydrophilic surface: 56.431

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

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Ions/Tautomers related molecules: no related molecules available.