MMsINC Database Search


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MMsINC code: MMs01485853

Type: Neutral
Formula: C₁₉H₂₂N₂O₃

SMILES:

O(CC(=O)Nc1ccc(cc1)C(=O)N(CC)CC)c1ccccc1

InChI:

InChI=1/C19H22N2O3/c1-3-21(4-2)19(23)15-10-12-16(13-11-15)20-18(22)14-24-17-8-6-5-7-9-17/h5-13H,3-4,14H2,1-2H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.079 kcal/mol

Physical Properties
Molecular Weight: 326.396 g/mol	logS: -4.12625	SlogP: 3.1861	Reactive groups: 0

Topological Properties
Globularity: 0.0267411	Sterimol/B1: 2.28758	Sterimol/B2: 2.84726	Sterimol/B3: 4.18322
Sterimol/B4: 6.11595	Sterimol/L: 20.3379

Surface and Volume Properties
Accessible surface: 611.927	Positive charged surface: 384.264	Negative charged surface: 227.663	Volume: 325.125
Hydrophobic surface: 487.939	Hydrophilic surface: 123.988

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.