MMsINC Database Search


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MMsINC code: MMs02610056

Type: Neutral
Formula: C₁₉H₂₄N₄O₅

SMILES:

O(c1ccccc1C(=O)NC(CC)C(=O)N(C)C)c1nc(OC)cc(OC)n1

InChI:

InChI=1/C19H24N4O5/c1-6-13(18(25)23(2)3)20-17(24)12-9-7-8-10-14(12)28-19-21-15(26-4)11-16(22-19)27-5/h7-11,13H,6H2,1-5H3,(H,20,24)/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.9011 kcal/mol

Physical Properties
Molecular Weight: 388.424 g/mol	logS: -4.13716	SlogP: 1.8827	Reactive groups: 0

Topological Properties
Globularity: 0.28068	Sterimol/B1: 2.46557	Sterimol/B2: 6.03657	Sterimol/B3: 7.60743
Sterimol/B4: 8.25104	Sterimol/L: 13.5597

Surface and Volume Properties
Accessible surface: 660.197	Positive charged surface: 504.595	Negative charged surface: 155.602	Volume: 367.5
Hydrophobic surface: 555.488	Hydrophilic surface: 104.709

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.