MMsINC Database Search


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MMsINC code: MMs01822454

Type: Neutral
Formula: C₂₀H₁₉N₅O₃

SMILES:

O(Cc1cccnc1)c1nc2N(C)C(=O)N(Cc3ccccc3)C(=O)c2n1C

InChI:

InChI=1/C20H19N5O3/c1-23-16-17(22-19(23)28-13-15-9-6-10-21-11-15)24(2)20(27)25(18(16)26)12-14-7-4-3-5-8-14/h3-11H,12-13H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=18.4112 kcal/mol

Physical Properties
Molecular Weight: 377.404 g/mol	logS: -3.61811	SlogP: 3.4983	Reactive groups: 0

Topological Properties
Globularity: 0.0777351	Sterimol/B1: 2.42527	Sterimol/B2: 2.59409	Sterimol/B3: 5.56988
Sterimol/B4: 7.80871	Sterimol/L: 18.618

Surface and Volume Properties
Accessible surface: 638.07	Positive charged surface: 467.707	Negative charged surface: 170.363	Volume: 352
Hydrophobic surface: 532.635	Hydrophilic surface: 105.435

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.