MMsINC Database Search


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MMsINC code: MMs02791892

Type: Neutral
Formula: C₁₅H₁₄O₂

SMILES:

O(C(=O)c1ccc(cc1)-c1cc(ccc1)C)C

InChI:

InChI=1/C15H14O2/c1-11-4-3-5-14(10-11)12-6-8-13(9-7-12)15(16)17-2/h3-10H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.8357 kcal/mol

Physical Properties
Molecular Weight: 226.275 g/mol	logS: -4.66691	SlogP: 3.44862	Reactive groups: 0

Topological Properties
Globularity: 0.00690013	Sterimol/B1: 2.26628	Sterimol/B2: 2.37626	Sterimol/B3: 2.51235
Sterimol/B4: 6.11087	Sterimol/L: 15.1354

Surface and Volume Properties
Accessible surface: 465.084	Positive charged surface: 270.752	Negative charged surface: 183.712	Volume: 232.5
Hydrophobic surface: 425.618	Hydrophilic surface: 39.466

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.