MMsINC Database Search


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MMsINC code: MMs02878690

Type: Neutral
Formula: C₁₉H₂₄O

SMILES:

OC(C(Cc1ccc(cc1)C)(C)C)c1ccc(cc1)C

InChI:

InChI=1/C19H24O/c1-14-5-9-16(10-6-14)13-19(3,4)18(20)17-11-7-15(2)8-12-17/h5-12,18,20H,13H2,1-4H3/t18-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.6532 kcal/mol

Physical Properties
Molecular Weight: 268.4 g/mol	logS: -4.53842	SlogP: 4.70121	Reactive groups: 0

Topological Properties
Globularity: 0.117353	Sterimol/B1: 2.43739	Sterimol/B2: 3.01969	Sterimol/B3: 4.63264
Sterimol/B4: 5.43543	Sterimol/L: 16.4287

Surface and Volume Properties
Accessible surface: 525.505	Positive charged surface: 317.608	Negative charged surface: 207.897	Volume: 295.625
Hydrophobic surface: 468.978	Hydrophilic surface: 56.527

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.