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MMsINC code: MMs02656396

Type: Neutral
Formula: C₁₇H₁₄O₂

SMILES:

OC(=O)\C(=C\c1ccccc1C=C)\c1ccccc1

InChI:

InChI=1/C17H14O2/c1-2-13-8-6-7-11-15(13)12-16(17(18)19)14-9-4-3-5-10-14/h2-12H,1H2,(H,18,19)/b16-12+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.2407 kcal/mol

Physical Properties
Molecular Weight: 250.297 g/mol	logS: -4.73428	SlogP: 3.9548	Reactive groups: 0

Topological Properties
Globularity: 0.164007	Sterimol/B1: 3.39905	Sterimol/B2: 4.17365	Sterimol/B3: 4.58349
Sterimol/B4: 5.77438	Sterimol/L: 12.0626

Surface and Volume Properties
Accessible surface: 472.092	Positive charged surface: 257.174	Negative charged surface: 214.917	Volume: 255.5
Hydrophobic surface: 343.729	Hydrophilic surface: 128.363

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

MMs02656397
PUBCHEM-ZINC00330187