MMsINC Database Search


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MMsINC code: MMs00492725

Type: Neutral
Formula: C₁₇H₂₅NO₃

SMILES:

O(C)c1cc(cc(OC)c1)C(=O)NC1CCCCCCC1

InChI:

InChI=1/C17H25NO3/c1-20-15-10-13(11-16(12-15)21-2)17(19)18-14-8-6-4-3-5-7-9-14/h10-12,14H,3-9H2,1-2H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.517 kcal/mol

Physical Properties
Molecular Weight: 291.391 g/mol	logS: -4.13335	SlogP: 3.5465	Reactive groups: 0

Topological Properties
Globularity: 0.0561015	Sterimol/B1: 2.43169	Sterimol/B2: 3.63027	Sterimol/B3: 4.25074
Sterimol/B4: 7.07743	Sterimol/L: 15.4695

Surface and Volume Properties
Accessible surface: 548.968	Positive charged surface: 419.012	Negative charged surface: 129.956	Volume: 296.625
Hydrophobic surface: 498.384	Hydrophilic surface: 50.584

Pharmacophoric Properties
Hydrogen bond donors: 1	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: no related molecules available.