MMsINC Database Search


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MMsINC code: MMs01488132

Type: Neutral
Formula: C₁₉H₁₆O₃

SMILES:

O(C(=O)c1ccc(cc1)CO)Cc1c2c(ccc1)cccc2

InChI:

InChI=1/C19H16O3/c20-12-14-8-10-16(11-9-14)19(21)22-13-17-6-3-5-15-4-1-2-7-18(15)17/h1-11,20H,12-13H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.565 kcal/mol

Physical Properties
Molecular Weight: 292.334 g/mol	logS: -5.18341	SlogP: 4.2219	Reactive groups: 0

Topological Properties
Globularity: 0.00718721	Sterimol/B1: 2.44377	Sterimol/B2: 2.86482	Sterimol/B3: 3.63184
Sterimol/B4: 5.6358	Sterimol/L: 18.136

Surface and Volume Properties
Accessible surface: 552.063	Positive charged surface: 299.935	Negative charged surface: 241.057	Volume: 289.125
Hydrophobic surface: 449.093	Hydrophilic surface: 102.97

Pharmacophoric Properties
Hydrogen bond donors: 1	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.