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MMsINC code: MMs02649617

Type: Neutral
Formula: C₁₄H₂₁NO

SMILES:

OC1CCN(CC1)CC(C)c1ccccc1

InChI:

InChI=1/C14H21NO/c1-12(13-5-3-2-4-6-13)11-15-9-7-14(16)8-10-15/h2-6,12,14,16H,7-11H2,1H3/t12-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=37.4053 kcal/mol

Physical Properties
Molecular Weight: 219.328 g/mol	logS: -1.86941	SlogP: 2.2468	Reactive groups: 0

Topological Properties
Globularity: 0.0951975	Sterimol/B1: 2.1881	Sterimol/B2: 3.28	Sterimol/B3: 4.27556
Sterimol/B4: 5.18898	Sterimol/L: 14.9553

Surface and Volume Properties
Accessible surface: 465.85	Positive charged surface: 334.601	Negative charged surface: 131.25	Volume: 239.875
Hydrophobic surface: 397.52	Hydrophilic surface: 68.33

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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

MMs02649618
PUBCHEM-ZINC00279288