MMsINC Database Search


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MMsINC code: MMs03377801

Type: Neutral
Formula: C₁₉H₁₄O₂

SMILES:

OC1(c2c(ccc3c2cccc3)C(=O)c2c1cccc2)C

InChI:

InChI=1/C19H14O2/c1-19(21)16-9-5-4-8-14(16)18(20)15-11-10-12-6-2-3-7-13(12)17(15)19/h2-11,21H,1H3/t19-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.5506 kcal/mol

Physical Properties
Molecular Weight: 274.319 g/mol	logS: -5.5562	SlogP: 3.9515	Reactive groups: 0

Topological Properties
Globularity: 0.055165	Sterimol/B1: 2.25181	Sterimol/B2: 2.78077	Sterimol/B3: 4.14809
Sterimol/B4: 6.60517	Sterimol/L: 14.1716

Surface and Volume Properties
Accessible surface: 451.608	Positive charged surface: 239.416	Negative charged surface: 204.688	Volume: 266.75
Hydrophobic surface: 377.585	Hydrophilic surface: 74.023

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.