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MMsINC code: MMs02824267

Type: Neutral
Formula: C₁₇H₂₄N₂O₃

SMILES:

O(C(=O)c1ccc(NC(=O)C(N2CCCCC2)C)cc1)CC

InChI:

InChI=1/C17H24N2O3/c1-3-22-17(21)14-7-9-15(10-8-14)18-16(20)13(2)19-11-5-4-6-12-19/h7-10,13H,3-6,11-12H2,1-2H3,(H,18,20)/t13-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.7539 kcal/mol

Physical Properties
Molecular Weight: 304.39 g/mol	logS: -3.27516	SlogP: 2.6762	Reactive groups: 0

Topological Properties
Globularity: 0.0371466	Sterimol/B1: 3.10977	Sterimol/B2: 3.92392	Sterimol/B3: 4.25464
Sterimol/B4: 4.38181	Sterimol/L: 19.1735

Surface and Volume Properties
Accessible surface: 588.739	Positive charged surface: 420.407	Negative charged surface: 168.332	Volume: 308.375
Hydrophobic surface: 474.117	Hydrophilic surface: 114.622

Pharmacophoric Properties
Hydrogen bond donors: 1	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

MMs02824268
PUBCHEM-ZINC01846728