MMsINC Database Search


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MMsINC code: MMs00610224

Type: Neutral
Formula: C₁₉H₁₆O₃

SMILES:

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

InChI:

InChI=1/C19H16O3/c1-21-16-9-11-17(12-10-16)22-19(20)13-15-7-4-6-14-5-2-3-8-18(14)15/h2-12H,13H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.2553 kcal/mol

Physical Properties
Molecular Weight: 292.334 g/mol	logS: -5.48867	SlogP: 3.99647	Reactive groups: 0

Topological Properties
Globularity: 0.0818043	Sterimol/B1: 2.42676	Sterimol/B2: 4.02603	Sterimol/B3: 4.91461
Sterimol/B4: 5.57922	Sterimol/L: 15.8721

Surface and Volume Properties
Accessible surface: 550.164	Positive charged surface: 329.112	Negative charged surface: 212.441	Volume: 289.375
Hydrophobic surface: 514.916	Hydrophilic surface: 35.248

Pharmacophoric Properties
Hydrogen bond donors: 0	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.