MMsINC Database Search


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MMsINC code: MMs01446027

Type: Neutral
Formula: C₁₉H₂₂N₂O₂

SMILES:

O=C(N(C)C)c1ccc(NC(=O)C(CC)c2ccccc2)cc1

InChI:

InChI=1/C19H22N2O2/c1-4-17(14-8-6-5-7-9-14)18(22)20-16-12-10-15(11-13-16)19(23)21(2)3/h5-13,17H,4H2,1-3H3,(H,20,22)/t17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.815 kcal/mol

Physical Properties
Molecular Weight: 310.397 g/mol	logS: -4.17347	SlogP: 3.5207	Reactive groups: 0

Topological Properties
Globularity: 0.0545423	Sterimol/B1: 2.36626	Sterimol/B2: 3.58842	Sterimol/B3: 3.97986
Sterimol/B4: 7.14922	Sterimol/L: 17.0639

Surface and Volume Properties
Accessible surface: 587.081	Positive charged surface: 399.757	Negative charged surface: 187.323	Volume: 317.375
Hydrophobic surface: 502.85	Hydrophilic surface: 84.231

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.