MMsINC Database Search


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MMsINC code: MMs03001251

Type: Neutral
Formula: C₁₉H₁₅N₃O₂

SMILES:

O=C(Nc1ccccc1)c1ccccc1NC(=O)c1ccncc1

InChI:

InChI=1/C19H15N3O2/c23-18(14-10-12-20-13-11-14)22-17-9-5-4-8-16(17)19(24)21-15-6-2-1-3-7-15/h1-13H,(H,21,24)(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.379 kcal/mol

Physical Properties
Molecular Weight: 317.348 g/mol	logS: -4.06672	SlogP: 3.5862	Reactive groups: 0

Topological Properties
Globularity: 0.0223897	Sterimol/B1: 2.57984	Sterimol/B2: 2.86123	Sterimol/B3: 3.00316
Sterimol/B4: 9.37557	Sterimol/L: 15.6429

Surface and Volume Properties
Accessible surface: 564.362	Positive charged surface: 342.774	Negative charged surface: 221.588	Volume: 301.375
Hydrophobic surface: 490.016	Hydrophilic surface: 74.346

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.