MMsINC Database Search


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MMsINC code: MMs02335708

Type: Neutral
Formula: C₁₉H₁₂O₅

SMILES:

O1c2c(-c3c(cccc3)C1=O)c(O)c1c(cccc1)c2C(OC)=O

InChI:

InChI=1/C19H12O5/c1-23-19(22)15-10-6-2-4-8-12(10)16(20)14-11-7-3-5-9-13(11)18(21)24-17(14)15/h2-9,20H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=129.962 kcal/mol

Physical Properties
Molecular Weight: 320.3 g/mol	logS: -6.58922	SlogP: 3.5316	Reactive groups: 0

Topological Properties
Globularity: 0.029059	Sterimol/B1: 2.29566	Sterimol/B2: 2.46849	Sterimol/B3: 3.80741
Sterimol/B4: 9.2871	Sterimol/L: 13.8266

Surface and Volume Properties
Accessible surface: 514.891	Positive charged surface: 281.978	Negative charged surface: 213.382	Volume: 283.875
Hydrophobic surface: 397.686	Hydrophilic surface: 117.205

Pharmacophoric Properties
Hydrogen bond donors: 1	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.