MMsINC Database Search


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MMsINC code: MMs03002061

Type: Neutral
Formula: C₁₇H₂₄N₂O₂

SMILES:

O=C(N1CCCCC1)c1ccc(NC(=O)CCCC)cc1

InChI:

InChI=1/C17H24N2O2/c1-2-3-7-16(20)18-15-10-8-14(9-11-15)17(21)19-12-5-4-6-13-19/h8-11H,2-7,12-13H2,1H3,(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.4479 kcal/mol

Physical Properties
Molecular Weight: 288.391 g/mol	logS: -3.62083	SlogP: 3.4414	Reactive groups: 0

Topological Properties
Globularity: 0.0346896	Sterimol/B1: 2.39147	Sterimol/B2: 3.1355	Sterimol/B3: 3.25476
Sterimol/B4: 6.65769	Sterimol/L: 18.3547

Surface and Volume Properties
Accessible surface: 572.496	Positive charged surface: 418.647	Negative charged surface: 153.849	Volume: 296.625
Hydrophobic surface: 475.27	Hydrophilic surface: 97.226

Pharmacophoric Properties
Hydrogen bond donors: 1	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.