MMsINC Database Search


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MMsINC code: MMs02101419

Type: Neutral
Formula: C₁₅H₁₀N₄O₂

SMILES:

OC(=O)c1cnc(nc1-c1ccncc1)-c1ncccc1

InChI:

InChI=1/C15H10N4O2/c20-15(21)11-9-18-14(12-3-1-2-6-17-12)19-13(11)10-4-7-16-8-5-10/h1-9H,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.7722 kcal/mol

Physical Properties
Molecular Weight: 278.271 g/mol	logS: -2.7905	SlogP: 2.2988	Reactive groups: 0

Topological Properties
Globularity: 0.0379023	Sterimol/B1: 3.06891	Sterimol/B2: 3.11095	Sterimol/B3: 4.90145
Sterimol/B4: 5.37893	Sterimol/L: 14.1594

Surface and Volume Properties
Accessible surface: 499.473	Positive charged surface: 351.888	Negative charged surface: 145.09	Volume: 251.375
Hydrophobic surface: 362.283	Hydrophilic surface: 137.19

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 6	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

MMs02101420
KEYORGANICS-ZINC01393470