MMsINC Database Search


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MMsINC code: MMs02366758

Type: Neutral
Formula: C₁₅H₁₂O₄

SMILES:

OC(=O)c1ccc(cc1)Cc1ccc(cc1)C(O)=O

InChI:

InChI=1/C15H12O4/c16-14(17)12-5-1-10(2-6-12)9-11-3-7-13(8-4-11)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)=54.2967 kcal/mol

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

Topological Properties
Globularity: 0.150464	Sterimol/B1: 2.49491	Sterimol/B2: 3.40449	Sterimol/B3: 4.30248
Sterimol/B4: 5.09429	Sterimol/L: 14.7819

Surface and Volume Properties
Accessible surface: 468.514	Positive charged surface: 259.37	Negative charged surface: 209.144	Volume: 239.75
Hydrophobic surface: 277.411	Hydrophilic surface: 191.103

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

search links for this molecule:

Ions/Tautomers related molecules

MMs02366759
NCID-ZINC01759946