MMsINC Database Search


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MMsINC code: MMs02242744

Type: Neutral
Formula: C₁₀H₁₄

SMILES:

c1ccccc1CCCC

InChI:

InChI=1/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=18.3892 kcal/mol

Physical Properties
Molecular Weight: 134.222 g/mol	logS: -3.40446	SlogP: 3.02917	Reactive groups: 0

Topological Properties
Globularity: 0.0917361	Sterimol/B1: 2.09598	Sterimol/B2: 3.61738	Sterimol/B3: 3.61913
Sterimol/B4: 3.89676	Sterimol/L: 12.4009

Surface and Volume Properties
Accessible surface: 363.144	Positive charged surface: 238.31	Negative charged surface: 124.834	Volume: 162.5
Hydrophobic surface: 339.82	Hydrophilic surface: 23.324

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.