MMsINC Database Search


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MMsINC code: MMs02091189

Type: Neutral
Formula: C₁₉H₁₂O₃

SMILES:

O1c2c(ccc3c2cccc3)C(=O)C=C1c1ccccc1O

InChI:

InChI=1/C19H12O3/c20-16-8-4-3-7-14(16)18-11-17(21)15-10-9-12-5-1-2-6-13(12)19(15)22-18/h1-11,20H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.4525 kcal/mol

Physical Properties
Molecular Weight: 288.302 g/mol	logS: -6.06442	SlogP: 4.1616	Reactive groups: 1

Topological Properties
Globularity: 0.0380214	Sterimol/B1: 2.72357	Sterimol/B2: 3.08085	Sterimol/B3: 3.75016
Sterimol/B4: 7.7136	Sterimol/L: 14.6745

Surface and Volume Properties
Accessible surface: 497.794	Positive charged surface: 251.52	Negative charged surface: 235.203	Volume: 270.375
Hydrophobic surface: 423.043	Hydrophilic surface: 74.751

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.