MMsINC Database Search


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MMsINC code: MMs00465739

Type: Neutral
Formula: C₁₈H₁₆O

SMILES:

OC(C)(c1c2c(ccc1)cccc2)c1ccccc1

InChI:

InChI=1/C18H16O/c1-18(19,15-10-3-2-4-11-15)17-13-7-9-14-8-5-6-12-16(14)17/h2-13,19H,1H3/t18-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.6271 kcal/mol

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

Topological Properties
Globularity: 0.249535	Sterimol/B1: 2.12573	Sterimol/B2: 3.36645	Sterimol/B3: 5.19075
Sterimol/B4: 7.94465	Sterimol/L: 11.4786

Surface and Volume Properties
Accessible surface: 451.843	Positive charged surface: 254.178	Negative charged surface: 191.682	Volume: 257.25
Hydrophobic surface: 407.225	Hydrophilic surface: 44.618

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.