MMsINC Database Search


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MMsINC code: MMs00003500

Type: Neutral
Formula: C₁₅H₁₀O₃

SMILES:

O1c2c(cc(O)cc2)C(=O)C=C1c1ccccc1

InChI:

InChI=1/C15H10O3/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-9,16H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.2612 kcal/mol

Physical Properties
Molecular Weight: 238.242 g/mol	logS: -4.18654	SlogP: 3.0084	Reactive groups: 1

Topological Properties
Globularity: 0.00198798	Sterimol/B1: 2.097	Sterimol/B2: 2.24218	Sterimol/B3: 3.63782
Sterimol/B4: 5.28145	Sterimol/L: 14.7899

Surface and Volume Properties
Accessible surface: 446.6	Positive charged surface: 232.293	Negative charged surface: 214.308	Volume: 223
Hydrophobic surface: 351.571	Hydrophilic surface: 95.029

Pharmacophoric Properties
Hydrogen bond donors: 1	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.