MMsINC Database Search


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MMsINC code: MMs02453764

Type: Neutral
Formula: C₂₀H₁₄O₄

SMILES:

O(C)c1c2c(C(=O)c3c(cccc3)C2=O)c(OC)c2c1cccc2

InChI:

InChI=1/C20H14O4/c1-23-19-13-9-5-6-10-14(13)20(24-2)16-15(19)17(21)11-7-3-4-8-12(11)18(16)22/h3-10H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.6 kcal/mol

Physical Properties
Molecular Weight: 318.328 g/mol	logS: -5.86364	SlogP: 3.6324	Reactive groups: 0

Topological Properties
Globularity: 0.0451454	Sterimol/B1: 2.1477	Sterimol/B2: 2.56586	Sterimol/B3: 3.76778
Sterimol/B4: 9.42115	Sterimol/L: 14.3783

Surface and Volume Properties
Accessible surface: 520.707	Positive charged surface: 322.289	Negative charged surface: 188.985	Volume: 294.875
Hydrophobic surface: 452.703	Hydrophilic surface: 68.004

Pharmacophoric Properties
Hydrogen bond donors: 0	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: no related molecules available.