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MMsINC code: MMs02676692

Type: Neutral
Formula: C₁₄H₁₀O₃

SMILES:

OC1c2c(-c3c1cccc3)cccc2C(O)=O

InChI:

InChI=1/C14H10O3/c15-13-10-5-2-1-4-8(10)9-6-3-7-11(12(9)13)14(16)17/h1-7,13,15H,(H,16,17)/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.8844 kcal/mol

Physical Properties
Molecular Weight: 226.231 g/mol	logS: -3.67408	SlogP: 2.5424	Reactive groups: 0

Topological Properties
Globularity: 0.0165504	Sterimol/B1: 2.50858	Sterimol/B2: 2.80878	Sterimol/B3: 4.08039
Sterimol/B4: 5.0105	Sterimol/L: 12.5546

Surface and Volume Properties
Accessible surface: 415.232	Positive charged surface: 223.255	Negative charged surface: 180.574	Volume: 210
Hydrophobic surface: 293.405	Hydrophilic surface: 121.827

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	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

MMs02676693
PUBCHEM-ZINC00404825