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MMsINC code: MMs02267266

Type: Neutral
Formula: C₁₄H₁₄O₄

SMILES:

O(C)c1cc2cc(ccc2cc1OC)CC(O)=O

InChI:

InChI=1/C14H14O4/c1-17-12-7-10-4-3-9(6-14(15)16)5-11(10)8-13(12)18-2/h3-5,7-8H,6H2,1-2H3,(H,15,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.2983 kcal/mol

Physical Properties
Molecular Weight: 246.262 g/mol	logS: -3.39439	SlogP: 2.48407	Reactive groups: 0

Topological Properties
Globularity: 0.0462924	Sterimol/B1: 2.4748	Sterimol/B2: 3.0088	Sterimol/B3: 3.13436
Sterimol/B4: 7.54116	Sterimol/L: 14.3301

Surface and Volume Properties
Accessible surface: 475.073	Positive charged surface: 333.705	Negative charged surface: 130.296	Volume: 233.875
Hydrophobic surface: 364.081	Hydrophilic surface: 110.992

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

MMs02267267
NCID-ZINC01618451