MMsINC Database Search


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MMsINC code: MMs02343947

Type: Neutral
Formula: C₁₅H₁₀O₃

SMILES:

O=C(C(=O)C(=O)c1ccccc1)c1ccccc1

InChI:

InChI=1/C15H10O3/c16-13(11-7-3-1-4-8-11)15(18)14(17)12-9-5-2-6-10-12/h1-10H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.0739 kcal/mol

Physical Properties
Molecular Weight: 238.242 g/mol	logS: -4.12039	SlogP: 2.3213	Reactive groups: 1

Topological Properties
Globularity: 0.000376844	Sterimol/B1: 2.15117	Sterimol/B2: 2.18191	Sterimol/B3: 3.26472
Sterimol/B4: 5.06553	Sterimol/L: 14.785

Surface and Volume Properties
Accessible surface: 455.944	Positive charged surface: 221.58	Negative charged surface: 234.363	Volume: 225
Hydrophobic surface: 369.746	Hydrophilic surface: 86.198

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.