MMsINC Database Search


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MMsINC code: MMs01015679

Type: Neutral
Formula: C₁₅H₁₀N₄O₂

SMILES:

O=C1N(Cc2[nH]c3cccnc3n2)C(=O)c2c1cccc2

InChI:

InChI=1/C15H10N4O2/c20-14-9-4-1-2-5-10(9)15(21)19(14)8-12-17-11-6-3-7-16-13(11)18-12/h1-7H,8H2,(H,16,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.0329 kcal/mol

Physical Properties
Molecular Weight: 278.271 g/mol	logS: -3.93307	SlogP: 2.0205	Reactive groups: 0

Topological Properties
Globularity: 0.13209	Sterimol/B1: 2.75059	Sterimol/B2: 3.00291	Sterimol/B3: 5.06593
Sterimol/B4: 5.41974	Sterimol/L: 14.4737

Surface and Volume Properties
Accessible surface: 486.852	Positive charged surface: 286.087	Negative charged surface: 200.765	Volume: 246.75
Hydrophobic surface: 344.829	Hydrophilic surface: 142.023

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.