MMsINC Database Search


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MMsINC code: MMs00271007

Type: Neutral
Formula: C₁₅H₂₃N₅O₄

SMILES:

O1CCN(CC1)c1nc2N(C)C(=O)N(C)C(=O)c2n1CCOCC

InChI:

InChI=1/C15H23N5O4/c1-4-23-10-7-20-11-12(17(2)15(22)18(3)13(11)21)16-14(20)19-5-8-24-9-6-19/h4-10H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.936 kcal/mol

Physical Properties
Molecular Weight: 337.38 g/mol	logS: -1.97881	SlogP: 0.6644	Reactive groups: 0

Topological Properties
Globularity: 0.112964	Sterimol/B1: 2.1803	Sterimol/B2: 3.36202	Sterimol/B3: 3.8109
Sterimol/B4: 9.94881	Sterimol/L: 13.8726

Surface and Volume Properties
Accessible surface: 595.622	Positive charged surface: 507.391	Negative charged surface: 88.2317	Volume: 315
Hydrophobic surface: 464.451	Hydrophilic surface: 131.171

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	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.