MMsINC Database Search


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MMsINC code: MMs02329521

Type: Neutral
Formula: C₁₁H₁₆

SMILES:

c1ccccc1CCCCC

InChI:

InChI=1/C11H16/c1-2-3-5-8-11-9-6-4-7-10-11/h4,6-7,9-10H,2-3,5,8H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=18.3718 kcal/mol

Physical Properties
Molecular Weight: 148.249 g/mol	logS: -3.91968	SlogP: 3.41927	Reactive groups: 0

Topological Properties
Globularity: 0.0676276	Sterimol/B1: 2.64584	Sterimol/B2: 3.32391	Sterimol/B3: 3.61866
Sterimol/B4: 3.61869	Sterimol/L: 13.5172

Surface and Volume Properties
Accessible surface: 395.819	Positive charged surface: 265.655	Negative charged surface: 130.164	Volume: 180.125
Hydrophobic surface: 373.055	Hydrophilic surface: 22.764

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	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.