MMsINC Database Search


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MMsINC code: MMs01491686

Type: Neutral
Formula: C₁₄H₁₃N₅O₄

SMILES:

O(C(=O)c1nccnc1N)CC(=O)Nc1ccc(cc1)C(=O)N

InChI:

InChI=1/C14H13N5O4/c15-12-11(17-5-6-18-12)14(22)23-7-10(20)19-9-3-1-8(2-4-9)13(16)21/h1-6H,7H2,(H2,15,18)(H2,16,21)(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=112.393 kcal/mol

Physical Properties
Molecular Weight: 315.289 g/mol	logS: -1.68394	SlogP: -0.0468	Reactive groups: 0

Topological Properties
Globularity: 0.0118033	Sterimol/B1: 2.21569	Sterimol/B2: 3.19264	Sterimol/B3: 3.6954
Sterimol/B4: 5.10898	Sterimol/L: 18.5154

Surface and Volume Properties
Accessible surface: 554.991	Positive charged surface: 374.066	Negative charged surface: 180.925	Volume: 272.5
Hydrophobic surface: 269.817	Hydrophilic surface: 285.174

Pharmacophoric Properties
Hydrogen bond donors: 3	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.