MMsINC Database Search


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MMsINC code: MMs00024424

Type: Neutral
Formula: C₁₀H₁₅N

SMILES:

n1ccccc1CCCCC

InChI:

InChI=1/C10H15N/c1-2-3-4-7-10-8-5-6-9-11-10/h5-6,8-9H,2-4,7H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=18.6713 kcal/mol

Physical Properties
Molecular Weight: 149.237 g/mol	logS: -2.18756	SlogP: 2.81427	Reactive groups: 0

Topological Properties
Globularity: 0.0503926	Sterimol/B1: 2.89693	Sterimol/B2: 3.38733	Sterimol/B3: 3.74766
Sterimol/B4: 3.91682	Sterimol/L: 13.4514

Surface and Volume Properties
Accessible surface: 390.039	Positive charged surface: 284.953	Negative charged surface: 105.087	Volume: 175.625
Hydrophobic surface: 359.504	Hydrophilic surface: 30.535

Pharmacophoric Properties
Hydrogen bond donors: 0	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.