MMsINC Database Search


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MMsINC code: MMs00735679

Type: Neutral
Formula: C₂₄H₃₄O₂

SMILES:

O(CCCCOc1ccccc1C(C)(C)C)c1ccccc1C(C)(C)C

InChI:

InChI=1/C24H34O2/c1-23(2,3)19-13-7-9-15-21(19)25-17-11-12-18-26-22-16-10-8-14-20(22)24(4,5)6/h7-10,13-16H,11-12,17-18H2,1-6H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.733 kcal/mol

Physical Properties
Molecular Weight: 354.534 g/mol	logS: -7.09578	SlogP: 6.5196	Reactive groups: 0

Topological Properties
Globularity: 0.0301182	Sterimol/B1: 3.61996	Sterimol/B2: 3.6296	Sterimol/B3: 4.29405
Sterimol/B4: 7.12155	Sterimol/L: 18.1578

Surface and Volume Properties
Accessible surface: 688.161	Positive charged surface: 449.027	Negative charged surface: 239.134	Volume: 396.375
Hydrophobic surface: 582.117	Hydrophilic surface: 106.044

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.