MMsINC Database Search


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MMsINC code: MMs03801932

Type: Neutral
Formula: C₁₈H₁₂O₄

SMILES:

O1C(O)(c2c3c(cccc3ccc2)C1=O)c1ccccc1O

InChI:

InChI=1/C18H12O4/c19-15-10-2-1-8-13(15)18(21)14-9-4-6-11-5-3-7-12(16(11)14)17(20)22-18/h1-10,19,21H/t18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.4234 kcal/mol

Physical Properties
Molecular Weight: 292.29 g/mol	logS: -5.02626	SlogP: 3.2207	Reactive groups: 0

Topological Properties
Globularity: 0.248209	Sterimol/B1: 2.4602	Sterimol/B2: 4.67169	Sterimol/B3: 5.4344
Sterimol/B4: 6.265	Sterimol/L: 12.562

Surface and Volume Properties
Accessible surface: 469.828	Positive charged surface: 232.641	Negative charged surface: 230.096	Volume: 262.875
Hydrophobic surface: 355.871	Hydrophilic surface: 113.957

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.