MMsINC Database Search


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MMsINC code: MMs03398261

Type: Neutral
Formula: C₂₄H₃₄O₂

SMILES:

O(CCOc1ccc(cc1)CC(CC)CC)c1cc(ccc1)C(C)(C)C

InChI:

InChI=1/C24H34O2/c1-6-19(7-2)17-20-11-13-22(14-12-20)25-15-16-26-23-10-8-9-21(18-23)24(3,4)5/h8-14,18-19H,6-7,15-17H2,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.717 kcal/mol

Physical Properties
Molecular Weight: 354.534 g/mol	logS: -8.34958	SlogP: 6.42057	Reactive groups: 0

Topological Properties
Globularity: 0.0279741	Sterimol/B1: 2.69461	Sterimol/B2: 2.74954	Sterimol/B3: 4.22146
Sterimol/B4: 6.57511	Sterimol/L: 21.0935

Surface and Volume Properties
Accessible surface: 707.774	Positive charged surface: 487.038	Negative charged surface: 220.736	Volume: 392.375
Hydrophobic surface: 604.383	Hydrophilic surface: 103.391

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.