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MMsINC code: MMs00839735

Type: Neutral
Formula: C₁₇H₁₆O₄

SMILES:

O1c2cc(ccc2OC1)C(Cc1ccccc1)CC(O)=O

InChI:

InChI=1/C17H16O4/c18-17(19)10-14(8-12-4-2-1-3-5-12)13-6-7-15-16(9-13)21-11-20-15/h1-7,9,14H,8,10-11H2,(H,18,19)/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.6597 kcal/mol

Physical Properties
Molecular Weight: 284.311 g/mol	logS: -3.27015	SlogP: 3.21627	Reactive groups: 0

Topological Properties
Globularity: 0.125043	Sterimol/B1: 3.18097	Sterimol/B2: 3.40212	Sterimol/B3: 4.49184
Sterimol/B4: 6.03653	Sterimol/L: 15.6468

Surface and Volume Properties
Accessible surface: 504.874	Positive charged surface: 313.742	Negative charged surface: 191.132	Volume: 270.75
Hydrophobic surface: 364.781	Hydrophilic surface: 140.093

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs00839736
CHEMDIV-ZINC00206556