MMsINC Database Search


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MMsINC code: MMs01744357

Type: Neutral
Formula: C₁₅H₁₂O₄

SMILES:

O(C(=O)c1ccccc1OC)C1=CC=CC=CC1=O

InChI:

InChI=1/C15H12O4/c1-18-13-9-6-5-7-11(13)15(17)19-14-10-4-2-3-8-12(14)16/h2-10H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.471 kcal/mol

Physical Properties
Molecular Weight: 256.257 g/mol	logS: -3.78866	SlogP: 2.431	Reactive groups: 1

Topological Properties
Globularity: 0.0768254	Sterimol/B1: 2.48046	Sterimol/B2: 3.04811	Sterimol/B3: 4.35302
Sterimol/B4: 7.33489	Sterimol/L: 14.288

Surface and Volume Properties
Accessible surface: 480.297	Positive charged surface: 286.214	Negative charged surface: 194.083	Volume: 241.625
Hydrophobic surface: 423.631	Hydrophilic surface: 56.666

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.