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MMsINC code: MMs02083853

Type: Neutral
Formula: C₁₅H₂₅N₇O₃

SMILES:

O=C1N(CC(=O)N)C(=O)N(c2nc(n(c12)CCC(C)C)NCCN)C

InChI:

InChI=1/C15H25N7O3/c1-9(2)4-7-21-11-12(19-14(21)18-6-5-16)20(3)15(25)22(13(11)24)8-10(17)23/h9H,4-8,16H2,1-3H3,(H2,17,23)(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-4.37959 kcal/mol

Physical Properties
Molecular Weight: 351.411 g/mol	logS: -2.61587	SlogP: 0.0635	Reactive groups: 0

Topological Properties
Globularity: 0.063338	Sterimol/B1: 2.24005	Sterimol/B2: 2.49021	Sterimol/B3: 4.27601
Sterimol/B4: 10.4735	Sterimol/L: 16.1456

Surface and Volume Properties
Accessible surface: 626.089	Positive charged surface: 487.23	Negative charged surface: 138.859	Volume: 329.875
Hydrophobic surface: 324.427	Hydrophilic surface: 301.662

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs02083854
IFLAB-ZINC05252202