MMsINC Database Search


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MMsINC code: MMs02715165

Type: Neutral
Formula: C₁₉H₂₃N₅O₃

SMILES:

O=C1N(C)C(=O)N(c2nc(n(c12)CC(=O)c1ccc(cc1)CC)N(C)C)C

InChI:

InChI=1/C19H23N5O3/c1-6-12-7-9-13(10-8-12)14(25)11-24-15-16(20-18(24)21(2)3)22(4)19(27)23(5)17(15)26/h7-10H,6,11H2,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.3663 kcal/mol

Physical Properties
Molecular Weight: 369.425 g/mol	logS: -4.30587	SlogP: 2.30257	Reactive groups: 0

Topological Properties
Globularity: 0.067729	Sterimol/B1: 3.78102	Sterimol/B2: 3.83742	Sterimol/B3: 5.89327
Sterimol/B4: 6.26289	Sterimol/L: 18.0536

Surface and Volume Properties
Accessible surface: 642.493	Positive charged surface: 491.822	Negative charged surface: 150.671	Volume: 353.125
Hydrophobic surface: 523.037	Hydrophilic surface: 119.456

Pharmacophoric Properties
Hydrogen bond donors: 0	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.