MMsINC Database Search


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MMsINC code: MMs02757831

Type: Neutral
Formula: C₁₅H₁₂O₃

SMILES:

O(C(=O)\C=C\c1ccccc1)c1ccccc1O

InChI:

InChI=1/C15H12O3/c16-13-8-4-5-9-14(13)18-15(17)11-10-12-6-2-1-3-7-12/h1-11,16H/b11-10+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.0431 kcal/mol

Physical Properties
Molecular Weight: 240.258 g/mol	logS: -3.64281	SlogP: 3.011	Reactive groups: 0

Topological Properties
Globularity: 0.0638427	Sterimol/B1: 3.51825	Sterimol/B2: 3.85381	Sterimol/B3: 4.08492
Sterimol/B4: 4.20047	Sterimol/L: 16.3963

Surface and Volume Properties
Accessible surface: 482.737	Positive charged surface: 252.338	Negative charged surface: 230.399	Volume: 236.375
Hydrophobic surface: 402.549	Hydrophilic surface: 80.188

Pharmacophoric Properties
Hydrogen bond donors: 1	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.