MMsINC Database Search


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MMsINC code: MMs01376145

Type: Neutral
Formula: C₁₇H₁₉N₃O₅

SMILES:

O1CCN(CC1)C(=O)CN1C(=O)C2(NC1=O)CCOc1c2cccc1

InChI:

InChI=1/C17H19N3O5/c21-14(19-6-9-24-10-7-19)11-20-15(22)17(18-16(20)23)5-8-25-13-4-2-1-3-12(13)17/h1-4H,5-11H2,(H,18,23)/t17-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.3632 kcal/mol

Physical Properties
Molecular Weight: 345.355 g/mol	logS: -2.56144	SlogP: 0.3865	Reactive groups: 0

Topological Properties
Globularity: 0.0538205	Sterimol/B1: 2.55323	Sterimol/B2: 3.4665	Sterimol/B3: 4.39272
Sterimol/B4: 7.46413	Sterimol/L: 16.2004

Surface and Volume Properties
Accessible surface: 561.474	Positive charged surface: 388.934	Negative charged surface: 172.54	Volume: 307.625
Hydrophobic surface: 427.442	Hydrophilic surface: 134.032

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.