MMsINC Database Search


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MMsINC code: MMs02350905

Type: Neutral
Formula: C₂₁H₁₆O

SMILES:

Oc1ccc2c(cccc2)c1Cc1c2c(ccc1)cccc2

InChI:

InChI=1/C21H16O/c22-21-13-12-16-7-2-4-11-19(16)20(21)14-17-9-5-8-15-6-1-3-10-18(15)17/h1-13,22H,14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.3667 kcal/mol

Physical Properties
Molecular Weight: 284.358 g/mol	logS: -6.58162	SlogP: 5.28937	Reactive groups: 0

Topological Properties
Globularity: 0.187138	Sterimol/B1: 3.56579	Sterimol/B2: 4.66106	Sterimol/B3: 5.4194
Sterimol/B4: 5.45624	Sterimol/L: 14.3419

Surface and Volume Properties
Accessible surface: 508.886	Positive charged surface: 273.727	Negative charged surface: 219.156	Volume: 288.875
Hydrophobic surface: 467.608	Hydrophilic surface: 41.278

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.