MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02353633

Type: Neutral
Formula: C₁₉H₁₂O₂

SMILES:

O1c2c(C=C(c3c4c(ccc3)cccc4)C1=O)cccc2

InChI:

InChI=1/C19H12O2/c20-19-17(12-14-7-2-4-11-18(14)21-19)16-10-5-8-13-6-1-3-9-15(13)16/h1-12H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.9549 kcal/mol

Physical Properties
Molecular Weight: 272.303 g/mol	logS: -6.42637	SlogP: 4.2994	Reactive groups: 0

Topological Properties
Globularity: 0.0947662	Sterimol/B1: 2.88516	Sterimol/B2: 3.60315	Sterimol/B3: 4.4371
Sterimol/B4: 7.14258	Sterimol/L: 14.6736

Surface and Volume Properties
Accessible surface: 491.413	Positive charged surface: 249.597	Negative charged surface: 232.161	Volume: 263.75
Hydrophobic surface: 443.322	Hydrophilic surface: 48.091

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.