MMsINC Database Search


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MMsINC code: MMs03135792

Type: Neutral
Formula: C₂₅H₃₄O

SMILES:

OC1CCCCCCCCCCCc2ccc(Cc3ccc1cc3)cc2

InChI:

InChI=1/C25H34O/c26-25-11-9-7-5-3-1-2-4-6-8-10-21-12-14-22(15-13-21)20-23-16-18-24(25)19-17-23/h12-19,25-26H,1-11,20H2/t25-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.9906 kcal/mol

Physical Properties
Molecular Weight: 350.546 g/mol	logS: -8.2949	SlogP: 6.86334	Reactive groups: 0

Topological Properties
Globularity: 0.13882	Sterimol/B1: 2.43173	Sterimol/B2: 3.41481	Sterimol/B3: 4.93188
Sterimol/B4: 9.37525	Sterimol/L: 14.1145

Surface and Volume Properties
Accessible surface: 615.877	Positive charged surface: 455.315	Negative charged surface: 160.562	Volume: 391.875
Hydrophobic surface: 569.48	Hydrophilic surface: 46.397

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

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Ions/Tautomers related molecules: no related molecules available.