MMsINC Database Search


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MMsINC code: MMs00831519

Type: Neutral
Formula: C₁₅H₁₂O₃

SMILES:

O(C(=O)c1ccccc1)c1ccccc1C(=O)C

InChI:

InChI=1/C15H12O3/c1-11(16)13-9-5-6-10-14(13)18-15(17)12-7-3-2-4-8-12/h2-10H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.3127 kcal/mol

Physical Properties
Molecular Weight: 240.258 g/mol	logS: -3.81121	SlogP: 3.1084	Reactive groups: 0

Topological Properties
Globularity: 0.0928534	Sterimol/B1: 2.38805	Sterimol/B2: 3.7276	Sterimol/B3: 3.80154
Sterimol/B4: 7.56797	Sterimol/L: 14.0687

Surface and Volume Properties
Accessible surface: 466.881	Positive charged surface: 254.207	Negative charged surface: 212.674	Volume: 231.625
Hydrophobic surface: 416.457	Hydrophilic surface: 50.424

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.