MMsINC Database Search


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MMsINC code: MMs01608890

Type: Neutral
Formula: C₁₉H₂₃N₃O₅

SMILES:

o1nc(CC)c(C(OCC(=O)NCC(=O)Nc2c(cccc2C)C)=O)c1C

InChI:

InChI=1/C19H23N3O5/c1-5-14-17(13(4)27-22-14)19(25)26-10-16(24)20-9-15(23)21-18-11(2)7-6-8-12(18)3/h6-8H,5,9-10H2,1-4H3,(H,20,24)(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.417 kcal/mol

Physical Properties
Molecular Weight: 373.409 g/mol	logS: -3.73145	SlogP: 2.07393	Reactive groups: 0

Topological Properties
Globularity: 0.0432871	Sterimol/B1: 2.29577	Sterimol/B2: 2.55416	Sterimol/B3: 5.51961
Sterimol/B4: 7.55849	Sterimol/L: 19.6811

Surface and Volume Properties
Accessible surface: 680.851	Positive charged surface: 407.85	Negative charged surface: 273.001	Volume: 354.625
Hydrophobic surface: 518.959	Hydrophilic surface: 161.892

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.