MMsINC Database Search


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MMsINC code: MMs02668570

Type: Neutral
Formula: C₁₈H₁₄O₃

SMILES:

O(C(=O)c1ccc(cc1)C)c1c2c(ccc1)c(O)ccc2

InChI:

InChI=1/C18H14O3/c1-12-8-10-13(11-9-12)18(20)21-17-7-3-4-14-15(17)5-2-6-16(14)19/h2-11,19H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.1749 kcal/mol

Physical Properties
Molecular Weight: 278.307 g/mol	logS: -5.48879	SlogP: 4.07302	Reactive groups: 0

Topological Properties
Globularity: 0.0560359	Sterimol/B1: 3.41252	Sterimol/B2: 4.01446	Sterimol/B3: 4.62039
Sterimol/B4: 5.36832	Sterimol/L: 16.063

Surface and Volume Properties
Accessible surface: 516.559	Positive charged surface: 280.631	Negative charged surface: 226.982	Volume: 270.5
Hydrophobic surface: 446.32	Hydrophilic surface: 70.239

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.