MMsINC Database Search


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MMsINC code: MMs02615624

Type: Neutral
Formula: C₁₉H₂₄N₄O₅

SMILES:

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

InChI:

InChI=1/C19H24N4O5/c1-11(2)20-17(24)12(3)21-18(25)13-8-6-7-9-14(13)28-19-22-15(26-4)10-16(23-19)27-5/h6-12H,1-5H3,(H,20,24)(H,21,25)/t12-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.1209 kcal/mol

Physical Properties
Molecular Weight: 388.424 g/mol	logS: -4.6958	SlogP: 1.929	Reactive groups: 0

Topological Properties
Globularity: 0.193098	Sterimol/B1: 3.68565	Sterimol/B2: 6.38099	Sterimol/B3: 6.62006
Sterimol/B4: 7.16243	Sterimol/L: 15.4841

Surface and Volume Properties
Accessible surface: 687.811	Positive charged surface: 491.805	Negative charged surface: 196.006	Volume: 367.5
Hydrophobic surface: 523.61	Hydrophilic surface: 164.201

Pharmacophoric Properties
Hydrogen bond donors: 2	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.