MMsINC Database Search


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MMsINC code: MMs00602660

Type: Neutral
Formula: C₁₄H₂₁NO

SMILES:

O(C)c1ccccc1CN1CCCCCC1

InChI:

InChI=1/C14H21NO/c1-16-14-9-5-4-8-13(14)12-15-10-6-2-3-7-11-15/h4-5,8-9H,2-3,6-7,10-12H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.0573 kcal/mol

Physical Properties
Molecular Weight: 219.328 g/mol	logS: -2.26263	SlogP: 3.3376	Reactive groups: 0

Topological Properties
Globularity: 0.165858	Sterimol/B1: 2.34669	Sterimol/B2: 3.07863	Sterimol/B3: 4.32594
Sterimol/B4: 7.12606	Sterimol/L: 12.1798

Surface and Volume Properties
Accessible surface: 449.899	Positive charged surface: 347.961	Negative charged surface: 101.938	Volume: 240.25
Hydrophobic surface: 442.876	Hydrophilic surface: 7.023

Pharmacophoric Properties
Hydrogen bond donors: 0	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

MMs00602661
CHEMBRIDGE-ZINC00293640