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MMsINC code: MMs03099846

Type: Neutral
Formula: C₁₄H₂₁NO

SMILES:

OC(C)(C)C1CCN(C1)Cc1ccccc1

InChI:

InChI=1/C14H21NO/c1-14(2,16)13-8-9-15(11-13)10-12-6-4-3-5-7-12/h3-7,13,16H,8-11H2,1-2H3/t13-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.3124 kcal/mol

Physical Properties
Molecular Weight: 219.328 g/mol	logS: -2.13515	SlogP: 2.5458	Reactive groups: 0

Topological Properties
Globularity: 0.0791979	Sterimol/B1: 2.36865	Sterimol/B2: 3.18124	Sterimol/B3: 3.29033
Sterimol/B4: 4.92372	Sterimol/L: 14.4494

Surface and Volume Properties
Accessible surface: 457.787	Positive charged surface: 319.298	Negative charged surface: 138.489	Volume: 239.375
Hydrophobic surface: 383.777	Hydrophilic surface: 74.01

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

MMs03099847
PUBCHEM-ZINC04203901