MMsINC Database Search


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MMsINC code: MMs01893069

Type: Neutral
Formula: C₁₉H₂₅N₅O₄

SMILES:

O(C)c1ccc(cc1)Cn1c2c(nc1NCCCOC)N(C)C(=O)N(C)C2=O

InChI:

InChI=1/C19H25N5O4/c1-22-16-15(17(25)23(2)19(22)26)24(18(21-16)20-10-5-11-27-3)12-13-6-8-14(28-4)9-7-13/h6-9H,5,10-12H2,1-4H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=19.3957 kcal/mol

Physical Properties
Molecular Weight: 387.44 g/mol	logS: -3.24922	SlogP: 2.2966	Reactive groups: 0

Topological Properties
Globularity: 0.0879476	Sterimol/B1: 2.48075	Sterimol/B2: 2.52026	Sterimol/B3: 5.68039
Sterimol/B4: 11.8847	Sterimol/L: 16.8342

Surface and Volume Properties
Accessible surface: 676.015	Positive charged surface: 553.993	Negative charged surface: 122.022	Volume: 368.125
Hydrophobic surface: 556.573	Hydrophilic surface: 119.442

Pharmacophoric Properties
Hydrogen bond donors: 1	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.