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MMsINC code: MMs02337597

Type: Neutral
Formula: C₁₄H₂₁NO

SMILES:

Oc1ccccc1CN(C)C1CCCCC1

InChI:

InChI=1/C14H21NO/c1-15(13-8-3-2-4-9-13)11-12-7-5-6-10-14(12)16/h5-7,10,13,16H,2-4,8-9,11H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.4529 kcal/mol

Physical Properties
Molecular Weight: 219.328 g/mol	logS: -2.36552	SlogP: 3.4231	Reactive groups: 0

Topological Properties
Globularity: 0.0936579	Sterimol/B1: 2.06221	Sterimol/B2: 2.92338	Sterimol/B3: 3.6726
Sterimol/B4: 6.10226	Sterimol/L: 14.0378

Surface and Volume Properties
Accessible surface: 452.665	Positive charged surface: 338.531	Negative charged surface: 114.134	Volume: 238
Hydrophobic surface: 410.699	Hydrophilic surface: 41.966

Pharmacophoric Properties
Hydrogen bond donors: 1	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

MMs02337598
NCID-ZINC01710437