MMsINC Database Search


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MMsINC code: MMs02713886

Type: Neutral
Formula: C₁₆H₁₅NO₄

SMILES:

o1c2c(nc1-c1cc(OC)c(OC)c(OC)c1)cccc2

InChI:

InChI=1/C16H15NO4/c1-18-13-8-10(9-14(19-2)15(13)20-3)16-17-11-6-4-5-7-12(11)21-16/h4-9H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.7129 kcal/mol

Physical Properties
Molecular Weight: 285.299 g/mol	logS: -4.85169	SlogP: 3.5206	Reactive groups: 0

Topological Properties
Globularity: 0.0206027	Sterimol/B1: 2.33296	Sterimol/B2: 2.34836	Sterimol/B3: 3.1406
Sterimol/B4: 9.51326	Sterimol/L: 15.7627

Surface and Volume Properties
Accessible surface: 538.389	Positive charged surface: 404.092	Negative charged surface: 134.297	Volume: 269.5
Hydrophobic surface: 479.204	Hydrophilic surface: 59.185

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.