MMsINC Database Search


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MMsINC code: MMs02668116

Type: Neutral
Formula: C₁₅H₁₄O₂

SMILES:

O(C)c1c-2c(Cc3c-2cccc3)ccc1OC

InChI:

InChI=1/C15H14O2/c1-16-13-8-7-11-9-10-5-3-4-6-12(10)14(11)15(13)17-2/h3-8H,9H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.7982 kcal/mol

Physical Properties
Molecular Weight: 226.275 g/mol	logS: -4.3829	SlogP: 3.27497	Reactive groups: 0

Topological Properties
Globularity: 0.0320285	Sterimol/B1: 2.25874	Sterimol/B2: 3.00936	Sterimol/B3: 4.81726
Sterimol/B4: 5.15993	Sterimol/L: 13.8356

Surface and Volume Properties
Accessible surface: 449.236	Positive charged surface: 316.062	Negative charged surface: 122.92	Volume: 229.625
Hydrophobic surface: 435.694	Hydrophilic surface: 13.542

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.