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MMsINC code: MMs03028415

Type: Neutral
Formula: C₁₅H₂₄N₂O

SMILES:

OCCN1CCN(CC1)C(Cc1ccccc1)C

InChI:

InChI=1/C15H24N2O/c1-14(13-15-5-3-2-4-6-15)17-9-7-16(8-10-17)11-12-18/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)=88.3992 kcal/mol

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

Topological Properties
Globularity: 0.0611371	Sterimol/B1: 2.05454	Sterimol/B2: 2.84809	Sterimol/B3: 3.70615
Sterimol/B4: 5.96148	Sterimol/L: 16.1197

Surface and Volume Properties
Accessible surface: 505.103	Positive charged surface: 381.033	Negative charged surface: 124.07	Volume: 270.125
Hydrophobic surface: 435.469	Hydrophilic surface: 69.634

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

MMs03028416
PUBCHEM-ZINC03632964