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MMsINC code: MMs00014952

Type: Neutral
Formula: C₁₇H₁₄O₃

SMILES:

O1C=C(C(=O)c2c1cc(OC)cc2C)c1ccccc1

InChI:

InChI=1/C17H14O3/c1-11-8-13(19-2)9-15-16(11)17(18)14(10-20-15)12-6-4-3-5-7-12/h3-10H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.4766 kcal/mol

Physical Properties
Molecular Weight: 266.296 g/mol	logS: -4.78358	SlogP: 3.61982	Reactive groups: 1

Topological Properties
Globularity: 0.0340056	Sterimol/B1: 2.21231	Sterimol/B2: 2.53741	Sterimol/B3: 3.41168
Sterimol/B4: 7.04234	Sterimol/L: 16.1969

Surface and Volume Properties
Accessible surface: 492.391	Positive charged surface: 300.726	Negative charged surface: 191.664	Volume: 260.375
Hydrophobic surface: 464.249	Hydrophilic surface: 28.142

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.