MMsINC Database Search


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MMsINC code: MMs00285136

Type: Neutral
Formula: C₁₉H₂₅N

SMILES:

n1cc(ccc1-c1ccc(cc1)CCC)CCCCC

InChI:

InChI=1/C19H25N/c1-3-5-6-8-17-11-14-19(20-15-17)18-12-9-16(7-4-2)10-13-18/h9-15H,3-8H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.8088 kcal/mol

Physical Properties
Molecular Weight: 267.416 g/mol	logS: -6.24763	SlogP: 5.43374	Reactive groups: 0

Topological Properties
Globularity: 0.0409813	Sterimol/B1: 2.57249	Sterimol/B2: 2.62843	Sterimol/B3: 4.53418
Sterimol/B4: 4.75056	Sterimol/L: 20.1101

Surface and Volume Properties
Accessible surface: 590.962	Positive charged surface: 405.486	Negative charged surface: 179.884	Volume: 304.375
Hydrophobic surface: 530.319	Hydrophilic surface: 60.643

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.