MMsINC Database Search


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MMsINC code: MMs00815570

Type: Neutral
Formula: C₁₆H₁₀O₄

SMILES:

O(C(=O)C)c1c2c(ccc1)C(=O)c1c(cccc1)C2=O

InChI:

InChI=1/C16H10O4/c1-9(17)20-13-8-4-7-12-14(13)16(19)11-6-3-2-5-10(11)15(12)18/h2-8H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.2023 kcal/mol

Physical Properties
Molecular Weight: 266.252 g/mol	logS: -4.23852	SlogP: 2.3873	Reactive groups: 0

Topological Properties
Globularity: 0.0313501	Sterimol/B1: 2.10391	Sterimol/B2: 3.05125	Sterimol/B3: 3.05623
Sterimol/B4: 8.03328	Sterimol/L: 12.8971

Surface and Volume Properties
Accessible surface: 456.402	Positive charged surface: 239.448	Negative charged surface: 216.954	Volume: 240.125
Hydrophobic surface: 361.843	Hydrophilic surface: 94.559

Pharmacophoric Properties
Hydrogen bond donors: 0	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.