MMsINC Database Search


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MMsINC code: MMs02708480

Type: Neutral
Formula: C₁₉H₁₅N₃O₂

SMILES:

O=C1N(C(=O)c2c3c1ccc(N(C)C)c3ccc2)c1ccncc1

InChI:

InChI=1/C19H15N3O2/c1-21(2)16-7-6-15-17-13(16)4-3-5-14(17)18(23)22(19(15)24)12-8-10-20-11-9-12/h3-11H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=148.959 kcal/mol

Physical Properties
Molecular Weight: 317.348 g/mol	logS: -4.30574	SlogP: 3.1014	Reactive groups: 0

Topological Properties
Globularity: 0.0748754	Sterimol/B1: 2.42694	Sterimol/B2: 3.64359	Sterimol/B3: 4.83024
Sterimol/B4: 6.35569	Sterimol/L: 15.5488

Surface and Volume Properties
Accessible surface: 541.722	Positive charged surface: 375.435	Negative charged surface: 155.947	Volume: 300.25
Hydrophobic surface: 465.522	Hydrophilic surface: 76.2

Pharmacophoric Properties
Hydrogen bond donors: 0	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.