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MMsINC code: MMs02318196

Type: Neutral
Formula: C₁₇H₁₄O₃

SMILES:

O=C1CC(C(O)=O)C(c2c1cccc2)c1ccccc1

InChI:

InChI=1/C17H14O3/c18-15-10-14(17(19)20)16(11-6-2-1-3-7-11)13-9-5-4-8-12(13)15/h1-9,14,16H,10H2,(H,19,20)/t14-,16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.6741 kcal/mol

Physical Properties
Molecular Weight: 266.296 g/mol	logS: -3.15036	SlogP: 3.1057	Reactive groups: 0

Topological Properties
Globularity: 0.167956	Sterimol/B1: 3.4238	Sterimol/B2: 3.66642	Sterimol/B3: 4.20858
Sterimol/B4: 7.31287	Sterimol/L: 11.8861

Surface and Volume Properties
Accessible surface: 456.439	Positive charged surface: 257.16	Negative charged surface: 199.278	Volume: 252.375
Hydrophobic surface: 341.956	Hydrophilic surface: 114.483

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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

MMs02318197
NCID-ZINC01684900