MMsINC Database Search


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MMsINC code: MMs00628791

Type: Neutral
Formula: C₁₈H₁₆O₂

SMILES:

O(Cc1c2c(ccc1)cccc2)c1ccccc1CO

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.2904 kcal/mol

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

Topological Properties
Globularity: 0.00677091	Sterimol/B1: 2.37738	Sterimol/B2: 2.37816	Sterimol/B3: 3.81993
Sterimol/B4: 6.34003	Sterimol/L: 14.7669

Surface and Volume Properties
Accessible surface: 506.571	Positive charged surface: 282.013	Negative charged surface: 213.486	Volume: 269.75
Hydrophobic surface: 451.164	Hydrophilic surface: 55.407

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.