MMsINC Database Search


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MMsINC code: MMs00923610

Type: Neutral
Formula: C₁₉H₂₆N₂O₃

SMILES:

O(CCCC(=O)NCCC(C)C)C1=CC(=O)N(c2c1cccc2)C

InChI:

InChI=1/C19H26N2O3/c1-14(2)10-11-20-18(22)9-6-12-24-17-13-19(23)21(3)16-8-5-4-7-15(16)17/h4-5,7-8,13-14H,6,9-12H2,1-3H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.9027 kcal/mol

Physical Properties
Molecular Weight: 330.428 g/mol	logS: -4.01129	SlogP: 2.963	Reactive groups: 0

Topological Properties
Globularity: 0.0122436	Sterimol/B1: 2.37965	Sterimol/B2: 3.71718	Sterimol/B3: 4.25147
Sterimol/B4: 6.16579	Sterimol/L: 20.7216

Surface and Volume Properties
Accessible surface: 639.802	Positive charged surface: 459.283	Negative charged surface: 180.52	Volume: 337
Hydrophobic surface: 507.39	Hydrophilic surface: 132.412

Pharmacophoric Properties
Hydrogen bond donors: 1	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.