MMsINC Database Search


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MMsINC code: MMs01189587

Type: Neutral
Formula: C₁₉H₂₄N₄O₂

SMILES:

O1CCN(CC1)c1ncc(cc1)C(=O)N(Cc1ncccc1)C(C)C

InChI:

InChI=1/C19H24N4O2/c1-15(2)23(14-17-5-3-4-8-20-17)19(24)16-6-7-18(21-13-16)22-9-11-25-12-10-22/h3-8,13,15H,9-12,14H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=307.442 kcal/mol

Physical Properties
Molecular Weight: 340.427 g/mol	logS: -2.01413	SlogP: 2.6304	Reactive groups: 0

Topological Properties
Globularity: 0.148156	Sterimol/B1: 2.21559	Sterimol/B2: 4.47741	Sterimol/B3: 4.58809
Sterimol/B4: 8.51237	Sterimol/L: 14.0171

Surface and Volume Properties
Accessible surface: 580.953	Positive charged surface: 426.843	Negative charged surface: 154.11	Volume: 330.25
Hydrophobic surface: 476.498	Hydrophilic surface: 104.455

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.