MMsINC Database Search


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MMsINC code: MMs02677740

Type: Neutral
Formula: C₁₆H₁₈O₂

SMILES:

O(Cc1ccccc1)c1c(C)c(C)c(O)cc1C

InChI:

InChI=1/C16H18O2/c1-11-9-15(17)12(2)13(3)16(11)18-10-14-7-5-4-6-8-14/h4-9,17H,10H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.583 kcal/mol

Physical Properties
Molecular Weight: 242.318 g/mol	logS: -3.32262	SlogP: 4.16286	Reactive groups: 0

Topological Properties
Globularity: 0.02891	Sterimol/B1: 2.32374	Sterimol/B2: 2.57114	Sterimol/B3: 3.07542
Sterimol/B4: 7.14847	Sterimol/L: 14.6181

Surface and Volume Properties
Accessible surface: 481.394	Positive charged surface: 288.028	Negative charged surface: 193.366	Volume: 256
Hydrophobic surface: 426.2	Hydrophilic surface: 55.194

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.