MMsINC Database Search


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MMsINC code: MMs02658200

Type: Neutral
Formula: C₁₆H₁₂O₃

SMILES:

o1c2c(ccc(O)c2)c(C)c1C(=O)c1ccccc1

InChI:

InChI=1/C16H12O3/c1-10-13-8-7-12(17)9-14(13)19-16(10)15(18)11-5-3-2-4-6-11/h2-9,17H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.7248 kcal/mol

Physical Properties
Molecular Weight: 252.269 g/mol	logS: -4.85446	SlogP: 3.67782	Reactive groups: 0

Topological Properties
Globularity: 0.00668435	Sterimol/B1: 1.969	Sterimol/B2: 2.14006	Sterimol/B3: 2.51003
Sterimol/B4: 7.46232	Sterimol/L: 14.3677

Surface and Volume Properties
Accessible surface: 464.169	Positive charged surface: 258.175	Negative charged surface: 200.593	Volume: 240.125
Hydrophobic surface: 385.728	Hydrophilic surface: 78.441

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.