MMsINC Database Search


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MMsINC code: MMs02909702

Type: Neutral
Formula: C₁₅H₁₄N₄O₃

SMILES:

O=C1N(C)C(=O)N(c2n(cnc12)CC(=O)c1ccccc1)C

InChI:

InChI=1/C15H14N4O3/c1-17-13-12(14(21)18(2)15(17)22)16-9-19(13)8-11(20)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.2742 kcal/mol

Physical Properties
Molecular Weight: 298.302 g/mol	logS: -2.78758	SlogP: 1.6742	Reactive groups: 0

Topological Properties
Globularity: 0.0825098	Sterimol/B1: 2.60288	Sterimol/B2: 2.62091	Sterimol/B3: 4.7743
Sterimol/B4: 6.63692	Sterimol/L: 15.6996

Surface and Volume Properties
Accessible surface: 504.653	Positive charged surface: 325.462	Negative charged surface: 179.191	Volume: 270.375
Hydrophobic surface: 386.457	Hydrophilic surface: 118.196

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.