MMsINC Database Search


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MMsINC code: MMs02178267

Type: Neutral
Formula: C₁₈H₁₄O₂

SMILES:

OC(C(=O)c1c2c(ccc1)cccc2)c1ccccc1

InChI:

InChI=1/C18H14O2/c19-17(14-8-2-1-3-9-14)18(20)16-12-6-10-13-7-4-5-11-15(13)16/h1-12,17,19H/t17-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.9224 kcal/mol

Physical Properties
Molecular Weight: 262.308 g/mol	logS: -5.13303	SlogP: 3.8516	Reactive groups: 0

Topological Properties
Globularity: 0.152641	Sterimol/B1: 2.32363	Sterimol/B2: 4.48769	Sterimol/B3: 4.85517
Sterimol/B4: 5.82296	Sterimol/L: 13.1297

Surface and Volume Properties
Accessible surface: 480.064	Positive charged surface: 238.537	Negative charged surface: 230.64	Volume: 261.25
Hydrophobic surface: 417.768	Hydrophilic surface: 62.296

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.