MMsINC Database Search


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MMsINC code: MMs00277128

Type: Neutral
Formula: C₁₇H₂₇NO₂

SMILES:

O(CC)c1ccc(cc1)C(=O)N(CCCC)CCCC

InChI:

InChI=1/C17H27NO2/c1-4-7-13-18(14-8-5-2)17(19)15-9-11-16(12-10-15)20-6-3/h9-12H,4-8,13-14H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.6649 kcal/mol

Physical Properties
Molecular Weight: 277.408 g/mol	logS: -3.89101	SlogP: 4.1277	Reactive groups: 0

Topological Properties
Globularity: 0.0474876	Sterimol/B1: 2.44793	Sterimol/B2: 3.81414	Sterimol/B3: 4.26413
Sterimol/B4: 7.76251	Sterimol/L: 17.6675

Surface and Volume Properties
Accessible surface: 585.978	Positive charged surface: 415.158	Negative charged surface: 170.82	Volume: 304
Hydrophobic surface: 479.596	Hydrophilic surface: 106.382

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: no related molecules available.