MMsINC Database Search


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MMsINC code: MMs02155028

Type: Neutral
Formula: C₁₈H₂₅N

SMILES:

[nH]1c2CCCCCCCCCCc2c2c1cccc2

InChI:

InChI=1/C18H25N/c1-2-4-6-8-13-17-15(11-7-5-3-1)16-12-9-10-14-18(16)19-17/h9-10,12,14,19H,1-8,11,13H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.2359 kcal/mol

Physical Properties
Molecular Weight: 255.405 g/mol	logS: -5.85491	SlogP: 5.38724	Reactive groups: 0

Topological Properties
Globularity: 0.0757432	Sterimol/B1: 2.67541	Sterimol/B2: 3.45149	Sterimol/B3: 3.69918
Sterimol/B4: 6.04701	Sterimol/L: 14.1634

Surface and Volume Properties
Accessible surface: 489.229	Positive charged surface: 345.322	Negative charged surface: 138.064	Volume: 283.375
Hydrophobic surface: 466.481	Hydrophilic surface: 22.748

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.