MMsINC Database Search


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MMsINC code: MMs01718416

Type: Neutral
Formula: C₁₉H₁₅N₅O₂

SMILES:

O(C(=O)c1cc(nc2c1cccc2)C)Cc1nnnn1-c1ccccc1

InChI:

InChI=1/C19H15N5O2/c1-13-11-16(15-9-5-6-10-17(15)20-13)19(25)26-12-18-21-22-23-24(18)14-7-3-2-4-8-14/h2-11H,12H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.263 kcal/mol

Physical Properties
Molecular Weight: 345.362 g/mol	logS: -3.93671	SlogP: 3.14232	Reactive groups: 0

Topological Properties
Globularity: 0.144302	Sterimol/B1: 2.193	Sterimol/B2: 2.76992	Sterimol/B3: 5.93713
Sterimol/B4: 8.31107	Sterimol/L: 15.5549

Surface and Volume Properties
Accessible surface: 589.576	Positive charged surface: 289.085	Negative charged surface: 261.738	Volume: 316.625
Hydrophobic surface: 497.73	Hydrophilic surface: 91.846

Pharmacophoric Properties
Hydrogen bond donors: 0	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.