MMsINC Database Search


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MMsINC code: MMs03171349

Type: Neutral
Formula: C₂₄H₃₂O

SMILES:

O(C(C)(C)C)C1CCCc2ccc(CCCCc3ccc1cc3)cc2

InChI:

InChI=1/C24H32O/c1-24(2,3)25-23-10-6-9-21-13-11-19(12-14-21)7-4-5-8-20-15-17-22(23)18-16-20/h11-18,23H,4-10H2,1-3H3/t23-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=126.458 kcal/mol

Physical Properties
Molecular Weight: 336.519 g/mol	logS: -6.90531	SlogP: 6.53991	Reactive groups: 0

Topological Properties
Globularity: 0.152102	Sterimol/B1: 2.99298	Sterimol/B2: 3.19506	Sterimol/B3: 4.27106
Sterimol/B4: 8.06766	Sterimol/L: 13.6875

Surface and Volume Properties
Accessible surface: 557.397	Positive charged surface: 404.368	Negative charged surface: 153.029	Volume: 371.125
Hydrophobic surface: 504.054	Hydrophilic surface: 53.343

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.