MMsINC Database Search


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MMsINC code: MMs02366101

Type: Neutral
Formula: C₁₆H₂₄O₂

SMILES:

O(C)c1cc2c(cc1OC)C(CCC2(C)C)(C)C

InChI:

InChI=1/C16H24O2/c1-15(2)7-8-16(3,4)12-10-14(18-6)13(17-5)9-11(12)15/h9-10H,7-8H2,1-6H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.954 kcal/mol

Physical Properties
Molecular Weight: 248.366 g/mol	logS: -5.42276	SlogP: 4.0528	Reactive groups: 0

Topological Properties
Globularity: 0.189574	Sterimol/B1: 2.17736	Sterimol/B2: 2.7389	Sterimol/B3: 5.00537
Sterimol/B4: 6.821	Sterimol/L: 10.8707

Surface and Volume Properties
Accessible surface: 479.787	Positive charged surface: 370.242	Negative charged surface: 109.545	Volume: 267.25
Hydrophobic surface: 391.735	Hydrophilic surface: 88.052

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.