MMsINC Database Search


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MMsINC code: MMs02659245

Type: Neutral
Formula: C₁₉H₂₆N₂O₂

SMILES:

O=C(NC1CCCC1)C1(NC(=O)c2ccccc2)CCCCC1

InChI:

InChI=1/C19H26N2O2/c22-17(15-9-3-1-4-10-15)21-19(13-7-2-8-14-19)18(23)20-16-11-5-6-12-16/h1,3-4,9-10,16H,2,5-8,11-14H2,(H,20,23)(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.9202 kcal/mol

Physical Properties
Molecular Weight: 314.429 g/mol	logS: -4.13064	SlogP: 3.1781	Reactive groups: 0

Topological Properties
Globularity: 0.193614	Sterimol/B1: 2.45759	Sterimol/B2: 3.40035	Sterimol/B3: 4.26522
Sterimol/B4: 10.3457	Sterimol/L: 12.4464

Surface and Volume Properties
Accessible surface: 570.705	Positive charged surface: 388.524	Negative charged surface: 182.182	Volume: 323.375
Hydrophobic surface: 534.416	Hydrophilic surface: 36.289

Pharmacophoric Properties
Hydrogen bond donors: 2	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.