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MMsINC code: MMs02379140

Type: Neutral
Formula: C₁₅H₂₄N₂O

SMILES:

OCCN1CC(N(CC1)CCc1ccccc1)C

InChI:

InChI=1/C15H24N2O/c1-14-13-16(11-12-18)9-10-17(14)8-7-15-5-3-2-4-6-15/h2-6,14,18H,7-13H2,1H3/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.0586 kcal/mol

Physical Properties
Molecular Weight: 248.37 g/mol	logS: -1.4892	SlogP: 1.22747	Reactive groups: 0

Topological Properties
Globularity: 0.0685373	Sterimol/B1: 2.13916	Sterimol/B2: 3.36228	Sterimol/B3: 3.70148
Sterimol/B4: 6.33076	Sterimol/L: 16.4618

Surface and Volume Properties
Accessible surface: 516.996	Positive charged surface: 389.501	Negative charged surface: 127.495	Volume: 270.5
Hydrophobic surface: 445.996	Hydrophilic surface: 71

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs02379141
NCID-ZINC02041903