MMsINC Database Search


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MMsINC code: MMs01179852

Type: Neutral
Formula: C₁₉H₂₀N₂O₂

SMILES:

o1c2c(cc1C(=O)N(Cc1cccnc1)CC(C)C)cccc2

InChI:

InChI=1/C19H20N2O2/c1-14(2)12-21(13-15-6-5-9-20-11-15)19(22)18-10-16-7-3-4-8-17(16)23-18/h3-11,14H,12-13H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.5038 kcal/mol

Physical Properties
Molecular Weight: 308.381 g/mol	logS: -4.26378	SlogP: 4.3926	Reactive groups: 0

Topological Properties
Globularity: 0.11097	Sterimol/B1: 2.25681	Sterimol/B2: 3.10297	Sterimol/B3: 4.17167
Sterimol/B4: 8.08138	Sterimol/L: 15.1784

Surface and Volume Properties
Accessible surface: 542.203	Positive charged surface: 347.307	Negative charged surface: 188.955	Volume: 313
Hydrophobic surface: 463.482	Hydrophilic surface: 78.721

Pharmacophoric Properties
Hydrogen bond donors: 0	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.