MMsINC Database Search


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MMsINC code: MMs03706116

Type: Neutral
Formula: C₁₉H₃₀N₂O₃

SMILES:

O(CCCC)CCCNC(=O)c1ccc(NC(=O)CCCC)cc1

InChI:

InChI=1/C19H30N2O3/c1-3-5-8-18(22)21-17-11-9-16(10-12-17)19(23)20-13-7-15-24-14-6-4-2/h9-12H,3-8,13-15H2,1-2H3,(H,20,23)(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.9894 kcal/mol

Physical Properties
Molecular Weight: 334.46 g/mol	logS: -4.36128	SlogP: 3.7519	Reactive groups: 0

Topological Properties
Globularity: 0.00964652	Sterimol/B1: 2.20402	Sterimol/B2: 2.55914	Sterimol/B3: 3.32129
Sterimol/B4: 9.03283	Sterimol/L: 24.2946

Surface and Volume Properties
Accessible surface: 715.361	Positive charged surface: 528.287	Negative charged surface: 187.073	Volume: 356
Hydrophobic surface: 575.004	Hydrophilic surface: 140.357

Pharmacophoric Properties
Hydrogen bond donors: 2	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.