MMsINC Database Search


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MMsINC code: MMs02994795

Type: Neutral
Formula: C₂₃H₃₂O

SMILES:

Oc1c(cc(cc1C(C)(C)C)C(C)(C)c1ccccc1)C(C)(C)C

InChI:

InChI=1/C23H32O/c1-21(2,3)18-14-17(15-19(20(18)24)22(4,5)6)23(7,8)16-12-10-9-11-13-16/h9-15,24H,1-8H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=139.835 kcal/mol

Physical Properties
Molecular Weight: 324.508 g/mol	logS: -7.58201	SlogP: 6.3131	Reactive groups: 0

Topological Properties
Globularity: 0.246298	Sterimol/B1: 2.57046	Sterimol/B2: 4.03322	Sterimol/B3: 5.4033
Sterimol/B4: 8.77367	Sterimol/L: 13.8608

Surface and Volume Properties
Accessible surface: 583.82	Positive charged surface: 383.379	Negative charged surface: 200.441	Volume: 362.875
Hydrophobic surface: 445.346	Hydrophilic surface: 138.474

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.