MMsINC Database Search


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MMsINC code: MMs02222824

Type: Neutral
Formula: C₁₅H₁₆O₃

SMILES:

O(C)c1ccc(cc1)Cc1cc(O)c(O)cc1C

InChI:

InChI=1/C15H16O3/c1-10-7-14(16)15(17)9-12(10)8-11-3-5-13(18-2)6-4-11/h3-7,9,16-17H,8H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.7034 kcal/mol

Physical Properties
Molecular Weight: 244.29 g/mol	logS: -3.30166	SlogP: 3.00559	Reactive groups: 0

Topological Properties
Globularity: 0.128006	Sterimol/B1: 2.37928	Sterimol/B2: 3.18829	Sterimol/B3: 4.52649
Sterimol/B4: 6.64765	Sterimol/L: 14.372

Surface and Volume Properties
Accessible surface: 467.965	Positive charged surface: 313.6	Negative charged surface: 154.365	Volume: 241.25
Hydrophobic surface: 360.517	Hydrophilic surface: 107.448

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.