MMsINC Database Search


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MMsINC code: MMs03251819

Type: Neutral
Formula: C₁₉H₂₀O

SMILES:

o1cc(c2c1cc(cc2C)-c1ccccc1)C(C)(C)C

InChI:

InChI=1/C19H20O/c1-13-10-15(14-8-6-5-7-9-14)11-17-18(13)16(12-20-17)19(2,3)4/h5-12H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=120.466 kcal/mol

Physical Properties
Molecular Weight: 264.368 g/mol	logS: -7.43664	SlogP: 5.70572	Reactive groups: 0

Topological Properties
Globularity: 0.0398885	Sterimol/B1: 2.23773	Sterimol/B2: 3.55668	Sterimol/B3: 3.5735
Sterimol/B4: 6.46642	Sterimol/L: 15.8051

Surface and Volume Properties
Accessible surface: 500.487	Positive charged surface: 269.102	Negative charged surface: 215.223	Volume: 282.125
Hydrophobic surface: 441.319	Hydrophilic surface: 59.168

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.