MMsINC Database Search


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MMsINC code: MMs02091191

Type: Neutral
Formula: C₁₉H₁₂O₃

SMILES:

O1c2c(c3c(cc2)cccc3)C(=O)C=C1c1ccccc1O

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.1789 kcal/mol

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

Topological Properties
Globularity: 0.027044	Sterimol/B1: 2.94382	Sterimol/B2: 3.15387	Sterimol/B3: 4.14453
Sterimol/B4: 4.68772	Sterimol/L: 16.3511

Surface and Volume Properties
Accessible surface: 502.007	Positive charged surface: 260.695	Negative charged surface: 230.241	Volume: 271.25
Hydrophobic surface: 428.178	Hydrophilic surface: 73.829

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.