MMsINC Database Search


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MMsINC code: MMs02488020

Type: Neutral
Formula: C₁₈H₁₆O₂

SMILES:

O=C1c2c(c(ccc2C)C)C(=O)c2c1cc(C)c(c2)C

InChI:

InChI=1/C18H16O2/c1-9-5-6-10(2)16-15(9)17(19)13-7-11(3)12(4)8-14(13)18(16)20/h5-8H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.12 kcal/mol

Physical Properties
Molecular Weight: 264.324 g/mol	logS: -5.78068	SlogP: 3.69568	Reactive groups: 0

Topological Properties
Globularity: 0.0295853	Sterimol/B1: 1.969	Sterimol/B2: 2.74192	Sterimol/B3: 2.85854
Sterimol/B4: 7.77364	Sterimol/L: 13.2055

Surface and Volume Properties
Accessible surface: 484.341	Positive charged surface: 284.288	Negative charged surface: 200.052	Volume: 263.875
Hydrophobic surface: 431.784	Hydrophilic surface: 52.557

Pharmacophoric Properties
Hydrogen bond donors: 0	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.