MMsINC Database Search


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MMsINC code: MMs02766988

Type: Neutral
Formula: C₁₉H₂₄O

SMILES:

Oc1ccc(cc1C(C)(C)C)C(C)(C)c1ccccc1

InChI:

InChI=1/C19H24O/c1-18(2,3)16-13-15(11-12-17(16)20)19(4,5)14-9-7-6-8-10-14/h6-13,20H,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.404 kcal/mol

Physical Properties
Molecular Weight: 268.4 g/mol	logS: -5.87588	SlogP: 5.0156	Reactive groups: 0

Topological Properties
Globularity: 0.246055	Sterimol/B1: 2.89254	Sterimol/B2: 3.01636	Sterimol/B3: 5.58407
Sterimol/B4: 6.73622	Sterimol/L: 11.8291

Surface and Volume Properties
Accessible surface: 505.406	Positive charged surface: 322.376	Negative charged surface: 183.03	Volume: 295
Hydrophobic surface: 396.907	Hydrophilic surface: 108.499

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.