MMsINC Database Search


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MMsINC code: MMs02383362

Type: Neutral
Formula: C₁₉H₁₆O₂

SMILES:

Oc1ccc(cc1)C(O)(c1ccccc1)c1ccccc1

InChI:

InChI=1/C19H16O2/c20-18-13-11-17(12-14-18)19(21,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,20-21H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.294 kcal/mol

Physical Properties
Molecular Weight: 276.335 g/mol	logS: -4.32975	SlogP: 3.9879	Reactive groups: 0

Topological Properties
Globularity: 0.341394	Sterimol/B1: 2.40281	Sterimol/B2: 3.25832	Sterimol/B3: 4.8054
Sterimol/B4: 9.25418	Sterimol/L: 12.2195

Surface and Volume Properties
Accessible surface: 499.599	Positive charged surface: 278.459	Negative charged surface: 221.14	Volume: 277.375
Hydrophobic surface: 426.859	Hydrophilic surface: 72.74

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: no related molecules available.