MMsINC Database Search


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MMsINC code: MMs01908068

Type: Neutral
Formula: C₁₉H₂₄N₄O₃

SMILES:

O(C)c1c(OC)c(OC)ccc1\C=N\N1CCN(CC1)c1ncccc1

InChI:

InChI=1/C19H24N4O3/c1-24-16-8-7-15(18(25-2)19(16)26-3)14-21-23-12-10-22(11-13-23)17-6-4-5-9-20-17/h4-9,14H,10-13H2,1-3H3/b21-14+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=188.619 kcal/mol

Physical Properties
Molecular Weight: 356.426 g/mol	logS: -2.33348	SlogP: 2.2635	Reactive groups: 0

Topological Properties
Globularity: 0.0702917	Sterimol/B1: 2.55861	Sterimol/B2: 3.08499	Sterimol/B3: 4.63466
Sterimol/B4: 6.56316	Sterimol/L: 19.313

Surface and Volume Properties
Accessible surface: 640.689	Positive charged surface: 536.499	Negative charged surface: 104.19	Volume: 348.25
Hydrophobic surface: 587.515	Hydrophilic surface: 53.174

Pharmacophoric Properties
Hydrogen bond donors: 0	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.