MMsINC Database Search


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MMsINC code: MMs03375536

Type: Ionized
Formula: C₂₃H₂₅O₂-

SMILES:

O=C([O-])c1ccc(cc1)\C=C\c1cc2c(cc1)C(CCC2(C)C)(C)C

InChI:

InChI=1/C23H26O2/c1-22(2)13-14-23(3,4)20-15-17(9-12-19(20)22)6-5-16-7-10-18(11-8-16)21(24)25/h5-12,15H,13-14H2,1-4H3,(H,24,25)/p-1/b6-5+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.1524 kcal/mol

Physical Properties
Molecular Weight: 333.451 g/mol	logS: -8.42603	SlogP: 4.5695	Reactive groups: 0

Topological Properties
Globularity: 0.045417	Sterimol/B1: 2.45916	Sterimol/B2: 2.57204	Sterimol/B3: 4.73273
Sterimol/B4: 7.2781	Sterimol/L: 18.3578

Surface and Volume Properties
Accessible surface: 611.749	Positive charged surface: 361.26	Negative charged surface: 250.489	Volume: 356
Hydrophobic surface: 462.739	Hydrophilic surface: 149.01

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	Acid groups: 2	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Parent related molecule:

MMs03375535
PUBCHEM-ZINC05762191