MMsINC Database Search


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MMsINC code: MMs03522355

Type: Neutral
Formula: C₁₉H₁₄O

SMILES:

Oc1cc2c(c3c(cc2)c(c2c(c3)cccc2)C)cc1

InChI:

InChI=1/C19H14O/c1-12-16-5-3-2-4-13(16)11-19-17(12)8-6-14-10-15(20)7-9-18(14)19/h2-11,20H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.4417 kcal/mol

Physical Properties
Molecular Weight: 258.32 g/mol	logS: -7.13049	SlogP: 5.16022	Reactive groups: 0

Topological Properties
Globularity: 0.00602676	Sterimol/B1: 2.12581	Sterimol/B2: 2.17275	Sterimol/B3: 2.50863
Sterimol/B4: 7.45129	Sterimol/L: 14.887

Surface and Volume Properties
Accessible surface: 468.992	Positive charged surface: 235.017	Negative charged surface: 201.514	Volume: 259.625
Hydrophobic surface: 417.574	Hydrophilic surface: 51.418

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.