MMsINC Database Search


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MMsINC code: MMs00237558

Type: Neutral
Formula: C₁₉H₂₄N₆O₂

SMILES:

O(C(=O)CNc1nc(nc2n(nnc12)Cc1ccccc1)C(C)(C)C)CC

InChI:

InChI=1/C19H24N6O2/c1-5-27-14(26)11-20-16-15-17(22-18(21-16)19(2,3)4)25(24-23-15)12-13-9-7-6-8-10-13/h6-10H,5,11-12H2,1-4H3,(H,20,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.3164 kcal/mol

Physical Properties
Molecular Weight: 368.441 g/mol	logS: -3.92663	SlogP: 2.8085	Reactive groups: 1

Topological Properties
Globularity: 0.078734	Sterimol/B1: 3.58169	Sterimol/B2: 4.29241	Sterimol/B3: 4.6999
Sterimol/B4: 7.23123	Sterimol/L: 18.4988

Surface and Volume Properties
Accessible surface: 659.641	Positive charged surface: 429.476	Negative charged surface: 230.164	Volume: 358.5
Hydrophobic surface: 453.722	Hydrophilic surface: 205.919

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.