MMsINC Database Search


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MMsINC code: MMs02343936

Type: Neutral
Formula: C₂₆H₃₀O₂

SMILES:

Oc1cc(-c2c(C)c(C)c(cc2C)C)c(O)cc1-c1c(C)c(C)c(cc1C)C

InChI:

InChI=1/C26H30O2/c1-13-9-15(3)25(19(7)17(13)5)21-11-24(28)22(12-23(21)27)26-16(4)10-14(2)18(6)20(26)8/h9-12,27-28H,1-8H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=134.796 kcal/mol

Physical Properties
Molecular Weight: 374.524 g/mol	logS: -9.3051	SlogP: 6.89916	Reactive groups: 0

Topological Properties
Globularity: 0.0469875	Sterimol/B1: 4.09219	Sterimol/B2: 4.21305	Sterimol/B3: 4.75616
Sterimol/B4: 4.80408	Sterimol/L: 18.233

Surface and Volume Properties
Accessible surface: 657.734	Positive charged surface: 415.411	Negative charged surface: 242.077	Volume: 397.625
Hydrophobic surface: 584.564	Hydrophilic surface: 73.17

Pharmacophoric Properties
Hydrogen bond donors: 2	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.