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MMsINC code: MMs01611237

Type: Neutral
Formula: C₂₀H₂₅N₃O₅

SMILES:

O=C1N(CC(=O)Nc2cc(ccc2C)C(OC)=O)C(=O)N(C)C12CCCCC2

InChI:

InChI=1/C20H25N3O5/c1-13-7-8-14(17(25)28-3)11-15(13)21-16(24)12-23-18(26)20(22(2)19(23)27)9-5-4-6-10-20/h7-8,11H,4-6,9-10,12H2,1-3H3,(H,21,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.701 kcal/mol

Physical Properties
Molecular Weight: 387.436 g/mol	logS: -3.93827	SlogP: 2.31702	Reactive groups: 0

Topological Properties
Globularity: 0.0637942	Sterimol/B1: 1.969	Sterimol/B2: 3.36835	Sterimol/B3: 4.70985
Sterimol/B4: 9.87641	Sterimol/L: 16.2825

Surface and Volume Properties
Accessible surface: 644.818	Positive charged surface: 452.41	Negative charged surface: 192.408	Volume: 359
Hydrophobic surface: 514.06	Hydrophilic surface: 130.758

Pharmacophoric Properties
Hydrogen bond donors: 1	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.