MMsINC Database Search


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MMsINC code: MMs03035496

Type: Neutral
Formula: C₁₉H₁₂O₄

SMILES:

OC(=O)c1cc2c(cc(cc2)C(=O)C(=O)c2ccccc2)cc1

InChI:

InChI=1/C19H12O4/c20-17(12-4-2-1-3-5-12)18(21)15-8-6-14-11-16(19(22)23)9-7-13(14)10-15/h1-11H,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.6257 kcal/mol

Physical Properties
Molecular Weight: 304.301 g/mol	logS: -5.63632	SlogP: 3.6036	Reactive groups: 1

Topological Properties
Globularity: 0.0626541	Sterimol/B1: 2.68384	Sterimol/B2: 3.65554	Sterimol/B3: 4.47989
Sterimol/B4: 5.70155	Sterimol/L: 17.1862

Surface and Volume Properties
Accessible surface: 526.199	Positive charged surface: 249.851	Negative charged surface: 266.541	Volume: 282
Hydrophobic surface: 365.245	Hydrophilic surface: 160.954

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs03035497
PUBCHEM-ZINC03657983