MMsINC Database Search


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MMsINC code: MMs01730091

Type: Neutral
Formula: C₁₇H₁₂O₂

SMILES:

O1C(=C\C(=C/c2ccccc2)\C1=O)c1ccccc1

InChI:

InChI=1/C17H12O2/c18-17-15(11-13-7-3-1-4-8-13)12-16(19-17)14-9-5-2-6-10-14/h1-12H/b15-11+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.2928 kcal/mol

Physical Properties
Molecular Weight: 248.281 g/mol	logS: -5.09034	SlogP: 3.6679	Reactive groups: 0

Topological Properties
Globularity: 0.0144827	Sterimol/B1: 2.61574	Sterimol/B2: 2.63858	Sterimol/B3: 2.66681
Sterimol/B4: 7.68388	Sterimol/L: 14.8328

Surface and Volume Properties
Accessible surface: 482.073	Positive charged surface: 244.952	Negative charged surface: 237.12	Volume: 247
Hydrophobic surface: 415.424	Hydrophilic surface: 66.649

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.