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MMsINC code: MMs02178657

Type: Neutral
Formula: C₁₇H₁₈O₃

SMILES:

OC(Cc1ccccc1)(Cc1ccccc1)CC(O)=O

InChI:

InChI=1/C17H18O3/c18-16(19)13-17(20,11-14-7-3-1-4-8-14)12-15-9-5-2-6-10-15/h1-10,20H,11-13H2,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.2603 kcal/mol

Physical Properties
Molecular Weight: 270.328 g/mol	logS: -2.9245	SlogP: 2.67754	Reactive groups: 0

Topological Properties
Globularity: 0.175034	Sterimol/B1: 2.53798	Sterimol/B2: 3.09692	Sterimol/B3: 4.20543
Sterimol/B4: 8.1478	Sterimol/L: 13.345

Surface and Volume Properties
Accessible surface: 494.831	Positive charged surface: 281.526	Negative charged surface: 213.306	Volume: 268.5
Hydrophobic surface: 393.966	Hydrophilic surface: 100.865

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs02178658
MDPI-ZINC03845354