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MMsINC code: MMs03424487

Type: Neutral
Formula: C₁₇H₂₃N₃O₅

SMILES:

O(C(=O)CCC(=O)NNC(=O)CCC(=O)NCc1ccccc1)CC

InChI:

InChI=1/C17H23N3O5/c1-2-25-17(24)11-10-16(23)20-19-15(22)9-8-14(21)18-12-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3,(H,18,21)(H,19,22)(H,20,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=35.0982 kcal/mol

Physical Properties
Molecular Weight: 349.387 g/mol	logS: -2.25113	SlogP: 0.8401	Reactive groups: 1

Topological Properties
Globularity: 0.015703	Sterimol/B1: 3.50003	Sterimol/B2: 3.61696	Sterimol/B3: 3.61991
Sterimol/B4: 3.78576	Sterimol/L: 25.2733

Surface and Volume Properties
Accessible surface: 686.73	Positive charged surface: 458.859	Negative charged surface: 227.871	Volume: 336
Hydrophobic surface: 464.654	Hydrophilic surface: 222.076

Pharmacophoric Properties
Hydrogen bond donors: 3	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.