MMsINC Database Search


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MMsINC code: MMs01416328

Type: Neutral
Formula: C₁₄H₁₉ClN₆O₄

SMILES:

Clc1nc2N(C)C(=O)N(C)C(=O)c2n1CC(=O)NC(=O)NC(C)(C)C

InChI:

InChI=1/C14H19ClN6O4/c1-14(2,3)18-12(24)16-7(22)6-21-8-9(17-11(21)15)19(4)13(25)20(5)10(8)23/h6H2,1-5H3,(H2,16,18,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-4.0823 kcal/mol

Physical Properties
Molecular Weight: 370.797 g/mol	logS: -3.40709	SlogP: 1.069	Reactive groups: 0

Topological Properties
Globularity: 0.0710358	Sterimol/B1: 2.65333	Sterimol/B2: 5.00553	Sterimol/B3: 5.19151
Sterimol/B4: 5.96707	Sterimol/L: 17.0278

Surface and Volume Properties
Accessible surface: 598.315	Positive charged surface: 397.314	Negative charged surface: 201.001	Volume: 318.25
Hydrophobic surface: 378.462	Hydrophilic surface: 219.853

Pharmacophoric Properties
Hydrogen bond donors: 2	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.