MMsINC Database Search


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MMsINC code: MMs00628391

Type: Neutral
Formula: C₁₈H₁₆O₂

SMILES:

O(Cc1c2c(ccc1)cccc2)c1ccc(cc1)CO

InChI:

InChI=1/C18H16O2/c19-12-14-8-10-17(11-9-14)20-13-16-6-3-5-15-4-1-2-7-18(15)16/h1-11,19H,12-13H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.5402 kcal/mol

Physical Properties
Molecular Weight: 264.324 g/mol	logS: -4.85206	SlogP: 4.4439	Reactive groups: 0

Topological Properties
Globularity: 0.00922079	Sterimol/B1: 2.45935	Sterimol/B2: 2.89767	Sterimol/B3: 3.14161
Sterimol/B4: 6.90762	Sterimol/L: 16.5158

Surface and Volume Properties
Accessible surface: 518.6	Positive charged surface: 292.096	Negative charged surface: 215.433	Volume: 268.125
Hydrophobic surface: 452.552	Hydrophilic surface: 66.048

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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

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Ions/Tautomers related molecules: no related molecules available.