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MMsINC code: MMs00260466

Type: Neutral
Formula: C₁₇H₂₅NO₂

SMILES:

O(CCC)c1ccc(cc1)C(=O)CCN1CCCCC1

InChI:

InChI=1/C17H25NO2/c1-2-14-20-16-8-6-15(7-9-16)17(19)10-13-18-11-4-3-5-12-18/h6-9H,2-5,10-14H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=43.9309 kcal/mol

Physical Properties
Molecular Weight: 275.392 g/mol	logS: -2.80311	SlogP: 3.5341	Reactive groups: 0

Topological Properties
Globularity: 0.0237013	Sterimol/B1: 2.2007	Sterimol/B2: 3.07623	Sterimol/B3: 3.40507
Sterimol/B4: 7.13729	Sterimol/L: 18.6038

Surface and Volume Properties
Accessible surface: 572.819	Positive charged surface: 425.015	Negative charged surface: 147.804	Volume: 295.125
Hydrophobic surface: 509.821	Hydrophilic surface: 62.998

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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

MMs00260467
ASINEX-ZINC01999568