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MMsINC code: MMs02649374

Type: Neutral
Formula: C₁₅H₂₄N₂

SMILES:

N1(CCN(CC1)CC)CCCc1ccccc1

InChI:

InChI=1/C15H24N2/c1-2-16-11-13-17(14-12-16)10-6-9-15-7-4-3-5-8-15/h3-5,7-8H,2,6,9-14H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.9359 kcal/mol

Physical Properties
Molecular Weight: 232.371 g/mol	logS: -1.89351	SlogP: 2.25667	Reactive groups: 0

Topological Properties
Globularity: 0.0629783	Sterimol/B1: 2.25991	Sterimol/B2: 3.231	Sterimol/B3: 3.80413
Sterimol/B4: 6.10706	Sterimol/L: 16.0925

Surface and Volume Properties
Accessible surface: 515.725	Positive charged surface: 392.113	Negative charged surface: 123.612	Volume: 265.375
Hydrophobic surface: 490.348	Hydrophilic surface: 25.377

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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

MMs02649375
PUBCHEM-ZINC00278261