MMsINC Database Search


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MMsINC code: MMs02305838

Type: Neutral
Formula: C₁₅H₁₂O₄

SMILES:

OC(=O)c1ccccc1Cc1ccc(cc1)C(O)=O

InChI:

InChI=1/C15H12O4/c16-14(17)11-7-5-10(6-8-11)9-12-3-1-2-4-13(12)15(18)19/h1-8H,9H2,(H,16,17)(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.9183 kcal/mol

Physical Properties
Molecular Weight: 256.257 g/mol	logS: -3.44006	SlogP: 2.67377	Reactive groups: 0

Topological Properties
Globularity: 0.0849862	Sterimol/B1: 2.44773	Sterimol/B2: 3.4984	Sterimol/B3: 3.84141
Sterimol/B4: 6.52111	Sterimol/L: 14.4985

Surface and Volume Properties
Accessible surface: 462.125	Positive charged surface: 261.767	Negative charged surface: 200.357	Volume: 237
Hydrophobic surface: 282.713	Hydrophilic surface: 179.412

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 4	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

MMs02305839
NCID-ZINC01669772