MMsINC Database Search


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MMsINC code: MMs03384133

Type: Neutral
Formula: C₁₅H₂₄O

SMILES:

OC(CCc1ccccc1)CCCCCC

InChI:

InChI=1/C15H24O/c1-2-3-4-8-11-15(16)13-12-14-9-6-5-7-10-14/h5-7,9-10,15-16H,2-4,8,11-13H2,1H3/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=24.6564 kcal/mol

Physical Properties
Molecular Weight: 220.356 g/mol	logS: -4.009	SlogP: 3.95047	Reactive groups: 0

Topological Properties
Globularity: 0.0397368	Sterimol/B1: 3.09131	Sterimol/B2: 3.45335	Sterimol/B3: 3.77471
Sterimol/B4: 3.87175	Sterimol/L: 18.3975

Surface and Volume Properties
Accessible surface: 525.895	Positive charged surface: 372.356	Negative charged surface: 153.539	Volume: 260.125
Hydrophobic surface: 467.614	Hydrophilic surface: 58.281

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.