MMsINC Database Search


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MMsINC code: MMs03625764

Type: Neutral
Formula: C₁₉H₂₄N₄O₃

SMILES:

O(C)c1cc(ccc1OC)CCC(=O)N1CCN(CC1)c1ncccn1

InChI:

InChI=1/C19H24N4O3/c1-25-16-6-4-15(14-17(16)26-2)5-7-18(24)22-10-12-23(13-11-22)19-20-8-3-9-21-19/h3-4,6,8-9,14H,5,7,10-13H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.335 kcal/mol

Physical Properties
Molecular Weight: 356.426 g/mol	logS: -2.84436	SlogP: 1.77517	Reactive groups: 0

Topological Properties
Globularity: 0.0674635	Sterimol/B1: 2.11097	Sterimol/B2: 3.75322	Sterimol/B3: 4.11113
Sterimol/B4: 7.46503	Sterimol/L: 18.9057

Surface and Volume Properties
Accessible surface: 651.578	Positive charged surface: 535.379	Negative charged surface: 116.198	Volume: 346.125
Hydrophobic surface: 569.316	Hydrophilic surface: 82.262

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.