MMsINC Database Search


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MMsINC code: MMs02742009

Type: Neutral
Formula: C₁₅H₁₆O₄

SMILES:

O(c1c(cc(OC)cc1O)C)c1cc(cc(O)c1)C

InChI:

InChI=1/C15H16O4/c1-9-4-11(16)7-13(5-9)19-15-10(2)6-12(18-3)8-14(15)17/h4-8,16-17H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.3614 kcal/mol

Physical Properties
Molecular Weight: 260.289 g/mol	logS: -3.12846	SlogP: 3.51554	Reactive groups: 0

Topological Properties
Globularity: 0.125789	Sterimol/B1: 3.08178	Sterimol/B2: 3.39227	Sterimol/B3: 5.17235
Sterimol/B4: 5.3544	Sterimol/L: 15.2691

Surface and Volume Properties
Accessible surface: 492.199	Positive charged surface: 329.045	Negative charged surface: 163.155	Volume: 253.25
Hydrophobic surface: 389.705	Hydrophilic surface: 102.494

Pharmacophoric Properties
Hydrogen bond donors: 2	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.