MMsINC Database Search


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MMsINC code: MMs03372921

Type: Neutral
Formula: C₁₅H₂₄O

SMILES:

Oc1ccccc1CCCCCCC(C)C

InChI:

InChI=1/C15H24O/c1-13(2)9-5-3-4-6-10-14-11-7-8-12-15(14)16/h7-8,11-13,16H,3-6,9-10H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=29.634 kcal/mol

Physical Properties
Molecular Weight: 220.356 g/mol	logS: -5.30516	SlogP: 4.54117	Reactive groups: 0

Topological Properties
Globularity: 0.0503442	Sterimol/B1: 2.36118	Sterimol/B2: 3.17318	Sterimol/B3: 4.20373
Sterimol/B4: 4.52819	Sterimol/L: 17.2095

Surface and Volume Properties
Accessible surface: 517.353	Positive charged surface: 367.861	Negative charged surface: 149.492	Volume: 256.75
Hydrophobic surface: 436.871	Hydrophilic surface: 80.482

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.