MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs03171339

Type: Neutral
Formula: C₂₄H₃₀O

SMILES:

O=C(C)c1c2cc(c(c1)CCCCc1ccc(CCCC2)cc1)CC

InChI:

InChI=1/C24H30O/c1-3-21-16-23-11-7-5-9-20-14-12-19(13-15-20)8-4-6-10-22(21)17-24(23)18(2)25/h12-17H,3-11H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=134.48 kcal/mol

Physical Properties
Molecular Weight: 334.503 g/mol	logS: -8.08427	SlogP: 5.89565	Reactive groups: 0

Topological Properties
Globularity: 0.485959	Sterimol/B1: 2.22012	Sterimol/B2: 3.46145	Sterimol/B3: 6.76099
Sterimol/B4: 8.04391	Sterimol/L: 12.0576

Surface and Volume Properties
Accessible surface: 534.79	Positive charged surface: 375.641	Negative charged surface: 159.148	Volume: 363.625
Hydrophobic surface: 493.886	Hydrophilic surface: 40.904

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: 0

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.