MMsINC Database Search


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MMsINC code: MMs02548476

Type: Neutral
Formula: C₁₇H₂₀O

SMILES:

OC(c1ccc(cc1)C(C)(C)C)c1ccccc1

InChI:

InChI=1/C17H20O/c1-17(2,3)15-11-9-14(10-12-15)16(18)13-7-5-4-6-8-13/h4-12,16,18H,1-3H3/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.6197 kcal/mol

Physical Properties
Molecular Weight: 240.346 g/mol	logS: -4.94338	SlogP: 4.1613	Reactive groups: 0

Topological Properties
Globularity: 0.146897	Sterimol/B1: 2.30616	Sterimol/B2: 2.81329	Sterimol/B3: 4.47321
Sterimol/B4: 5.8277	Sterimol/L: 13.7768

Surface and Volume Properties
Accessible surface: 483.967	Positive charged surface: 284.904	Negative charged surface: 199.063	Volume: 263.625
Hydrophobic surface: 392.845	Hydrophilic surface: 91.122

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.