MMsINC Database Search


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MMsINC code: MMs02215014

Type: Neutral
Formula: C₁₅H₂₄O₂

SMILES:

Oc1c(cc(cc1O)C)C(CC(C)(C)C)(C)C

InChI:

InChI=1/C15H24O2/c1-10-7-11(13(17)12(16)8-10)15(5,6)9-14(2,3)4/h7-8,16-17H,9H2,1-6H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=162.286 kcal/mol

Physical Properties
Molecular Weight: 236.355 g/mol	logS: -4.90191	SlogP: 4.12002	Reactive groups: 0

Topological Properties
Globularity: 0.405079	Sterimol/B1: 2.21578	Sterimol/B2: 4.05884	Sterimol/B3: 4.40574
Sterimol/B4: 6.66557	Sterimol/L: 11.2693

Surface and Volume Properties
Accessible surface: 444.719	Positive charged surface: 301.929	Negative charged surface: 142.79	Volume: 250.75
Hydrophobic surface: 302.551	Hydrophilic surface: 142.168

Pharmacophoric Properties
Hydrogen bond donors: 2	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.