MMsINC Database Search


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MMsINC code: MMs02814482

Type: Neutral
Formula: C₁₉H₁₉NO₄

SMILES:

O(C)c1c(cccc1OC)-c1nccc2c1cc(OC)c(OC)c2

InChI:

InChI=1/C19H19NO4/c1-21-15-7-5-6-13(19(15)24-4)18-14-11-17(23-3)16(22-2)10-12(14)8-9-20-18/h5-11H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=137.365 kcal/mol

Physical Properties
Molecular Weight: 325.364 g/mol	logS: -4.60132	SlogP: 3.9362	Reactive groups: 0

Topological Properties
Globularity: 0.0964324	Sterimol/B1: 3.47038	Sterimol/B2: 4.09672	Sterimol/B3: 5.75625
Sterimol/B4: 5.88134	Sterimol/L: 16.4526

Surface and Volume Properties
Accessible surface: 566.917	Positive charged surface: 456.788	Negative charged surface: 100.354	Volume: 314.125
Hydrophobic surface: 527.571	Hydrophilic surface: 39.346

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	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.