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MMsINC code: MMs01223306

Type: Neutral
Formula: C₁₅H₁₂O₂

SMILES:

OC(=O)\C(=C/c1ccccc1)\c1ccccc1

InChI:

InChI=1/C15H12O2/c16-15(17)14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-11H,(H,16,17)/b14-11-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.9898 kcal/mol

Physical Properties
Molecular Weight: 224.259 g/mol	logS: -3.63759	SlogP: 3.3118	Reactive groups: 0

Topological Properties
Globularity: 0.0640025	Sterimol/B1: 2.66598	Sterimol/B2: 3.6892	Sterimol/B3: 4.03059
Sterimol/B4: 4.10761	Sterimol/L: 14.3071

Surface and Volume Properties
Accessible surface: 445.463	Positive charged surface: 253.896	Negative charged surface: 191.568	Volume: 224.75
Hydrophobic surface: 377.067	Hydrophilic surface: 68.396

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs01223307
ENAMINE-ZINC00080749