MMsINC Database Search


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MMsINC code: MMs01540399

Type: Neutral
Formula: C₁₉H₂₇N₃O₅

SMILES:

O=C1N(CC(=O)N(CCOC)CCOC)C(=O)NC1(CC)c1ccccc1

InChI:

InChI=1/C19H27N3O5/c1-4-19(15-8-6-5-7-9-15)17(24)22(18(25)20-19)14-16(23)21(10-12-26-2)11-13-27-3/h5-9H,4,10-14H2,1-3H3,(H,20,25)/t19-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.7094 kcal/mol

Physical Properties
Molecular Weight: 377.441 g/mol	logS: -2.68323	SlogP: 1.2766	Reactive groups: 0

Topological Properties
Globularity: 0.129699	Sterimol/B1: 2.49583	Sterimol/B2: 2.8192	Sterimol/B3: 6.81135
Sterimol/B4: 8.19461	Sterimol/L: 16.7121

Surface and Volume Properties
Accessible surface: 656.745	Positive charged surface: 489.644	Negative charged surface: 167.101	Volume: 366.5
Hydrophobic surface: 542.091	Hydrophilic surface: 114.654

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	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.