MMsINC Database Search


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MMsINC code: MMs01424323

Type: Neutral
Formula: C₁₅H₂₀N₄O₅

SMILES:

O(C(=O)c1ccc(NC(=O)N)cc1)CC(=O)NC(=O)NCC(C)C

InChI:

InChI=1/C15H20N4O5/c1-9(2)7-17-15(23)19-12(20)8-24-13(21)10-3-5-11(6-4-10)18-14(16)22/h3-6,9H,7-8H2,1-2H3,(H3,16,18,22)(H2,17,19,20,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=27.7392 kcal/mol

Physical Properties
Molecular Weight: 336.348 g/mol	logS: -3.04776	SlogP: 0.8158	Reactive groups: 0

Topological Properties
Globularity: 0.0107966	Sterimol/B1: 2.46988	Sterimol/B2: 2.64958	Sterimol/B3: 3.66409
Sterimol/B4: 5.44973	Sterimol/L: 22.4796

Surface and Volume Properties
Accessible surface: 625.886	Positive charged surface: 413.807	Negative charged surface: 212.079	Volume: 307.75
Hydrophobic surface: 318.798	Hydrophilic surface: 307.088

Pharmacophoric Properties
Hydrogen bond donors: 4	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.