MMsINC Database Search


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MMsINC code: MMs02869048

Type: Neutral
Formula: C₂₄H₃₂O

SMILES:

O=C(Cc1c(cccc1C(C)C)C(C)C)c1ccc(cc1)C(C)(C)C

InChI:

InChI=1/C24H32O/c1-16(2)20-9-8-10-21(17(3)4)22(20)15-23(25)18-11-13-19(14-12-18)24(5,6)7/h8-14,16-17H,15H2,1-7H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.639 kcal/mol

Physical Properties
Molecular Weight: 336.519 g/mol	logS: -8.54746	SlogP: 6.65627	Reactive groups: 0

Topological Properties
Globularity: 0.0989791	Sterimol/B1: 2.38949	Sterimol/B2: 2.54966	Sterimol/B3: 5.40096
Sterimol/B4: 9.03632	Sterimol/L: 16.3717

Surface and Volume Properties
Accessible surface: 640.53	Positive charged surface: 412.405	Negative charged surface: 228.125	Volume: 380.5
Hydrophobic surface: 503.186	Hydrophilic surface: 137.344

Pharmacophoric Properties
Hydrogen bond donors: 0	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.