MMsINC Database Search


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MMsINC code: MMs00465742

Type: Neutral
Formula: C₁₈H₁₆O

SMILES:

OC(C)(c1cc2c(cc1)cccc2)c1ccccc1

InChI:

InChI=1/C18H16O/c1-18(19,16-9-3-2-4-10-16)17-12-11-14-7-5-6-8-15(14)13-17/h2-13,19H,1H3/t18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.5425 kcal/mol

Physical Properties
Molecular Weight: 248.325 g/mol	logS: -5.12889	SlogP: 4.4071	Reactive groups: 0

Topological Properties
Globularity: 0.184366	Sterimol/B1: 2.07942	Sterimol/B2: 3.73628	Sterimol/B3: 5.23093
Sterimol/B4: 6.10896	Sterimol/L: 13.3639

Surface and Volume Properties
Accessible surface: 474.372	Positive charged surface: 250.82	Negative charged surface: 213.79	Volume: 260.125
Hydrophobic surface: 431.456	Hydrophilic surface: 42.916

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