MMsINC Database Search


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MMsINC code: MMs02306274

Type: Neutral
Formula: C₁₄H₂₁NO

SMILES:

O(Cc1ccccc1)CCN1CCCCC1

InChI:

InChI=1/C14H21NO/c1-3-7-14(8-4-1)13-16-12-11-15-9-5-2-6-10-15/h1,3-4,7-8H,2,5-6,9-13H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.3332 kcal/mol

Physical Properties
Molecular Weight: 219.328 g/mol	logS: -2.15312	SlogP: 2.9555	Reactive groups: 0

Topological Properties
Globularity: 0.128645	Sterimol/B1: 2.88934	Sterimol/B2: 3.3263	Sterimol/B3: 4.18226
Sterimol/B4: 6.05703	Sterimol/L: 13.5486

Surface and Volume Properties
Accessible surface: 488.406	Positive charged surface: 365.401	Negative charged surface: 123.006	Volume: 242.375
Hydrophobic surface: 478.616	Hydrophilic surface: 9.79

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

MMs02306275
NCID-ZINC01670195