MMsINC Database Search


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MMsINC code: MMs03811698

Type: Neutral
Formula: C₁₇H₂₆N₂O₃

SMILES:

OCC(NC(=O)Cc1ccccc1)C(=O)N(CCC)CCC

InChI:

InChI=1/C17H26N2O3/c1-3-10-19(11-4-2)17(22)15(13-20)18-16(21)12-14-8-6-5-7-9-14/h5-9,15,20H,3-4,10-13H2,1-2H3,(H,18,21)/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.0264 kcal/mol

Physical Properties
Molecular Weight: 306.406 g/mol	logS: -2.51448	SlogP: 1.35477	Reactive groups: 0

Topological Properties
Globularity: 0.0944891	Sterimol/B1: 2.20357	Sterimol/B2: 3.11596	Sterimol/B3: 5.28611
Sterimol/B4: 7.72257	Sterimol/L: 17.4125

Surface and Volume Properties
Accessible surface: 610.971	Positive charged surface: 422.46	Negative charged surface: 188.511	Volume: 316.25
Hydrophobic surface: 463.245	Hydrophilic surface: 147.726

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.