MMsINC Database Search


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MMsINC code: MMs02625757

Type: Neutral
Formula: C₁₆H₁₄O₄

SMILES:

O(C)c1c(OC)c2c(cc1O)ccc1cc(O)ccc12

InChI:

InChI=1/C16H14O4/c1-19-15-13(18)8-10-4-3-9-7-11(17)5-6-12(9)14(10)16(15)20-2/h3-8,17-18H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.611 kcal/mol

Physical Properties
Molecular Weight: 270.284 g/mol	logS: -4.5175	SlogP: 3.4214	Reactive groups: 0

Topological Properties
Globularity: 0.0637362	Sterimol/B1: 2.09741	Sterimol/B2: 3.80369	Sterimol/B3: 4.39237
Sterimol/B4: 6.56978	Sterimol/L: 13.4222

Surface and Volume Properties
Accessible surface: 472.688	Positive charged surface: 314.125	Negative charged surface: 137.771	Volume: 252.625
Hydrophobic surface: 369.494	Hydrophilic surface: 103.194

Pharmacophoric Properties
Hydrogen bond donors: 2	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.