MMsINC Database Search


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MMsINC code: MMs02238181

Type: Neutral
Formula: C₁₈H₁₆O₂

SMILES:

O(C)c1ccc(cc1)Cc1c2c(ccc1O)cccc2

InChI:

InChI=1/C18H16O2/c1-20-15-9-6-13(7-10-15)12-17-16-5-3-2-4-14(16)8-11-18(17)19/h2-11,19H,12H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.5085 kcal/mol

Physical Properties
Molecular Weight: 264.324 g/mol	logS: -4.75412	SlogP: 4.14477	Reactive groups: 0

Topological Properties
Globularity: 0.130147	Sterimol/B1: 2.40858	Sterimol/B2: 3.6991	Sterimol/B3: 4.93698
Sterimol/B4: 6.36961	Sterimol/L: 13.5402

Surface and Volume Properties
Accessible surface: 494.677	Positive charged surface: 302.111	Negative charged surface: 182.16	Volume: 266
Hydrophobic surface: 453.574	Hydrophilic surface: 41.103

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.