MMsINC Database Search


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MMsINC code: MMs01631779

Type: Neutral
Formula: C₁₉H₁₉N₃O₂

SMILES:

O=C1N(N=C(c2c1cccc2)C(=O)N(Cc1ccc(cc1)C)C)C

InChI:

InChI=1/C19H19N3O2/c1-13-8-10-14(11-9-13)12-21(2)19(24)17-15-6-4-5-7-16(15)18(23)22(3)20-17/h4-11H,12H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.304 kcal/mol

Physical Properties
Molecular Weight: 321.38 g/mol	logS: -4.39386	SlogP: 2.70972	Reactive groups: 0

Topological Properties
Globularity: 0.0963407	Sterimol/B1: 2.29045	Sterimol/B2: 4.67757	Sterimol/B3: 5.85261
Sterimol/B4: 6.28416	Sterimol/L: 15.443

Surface and Volume Properties
Accessible surface: 573.693	Positive charged surface: 379.441	Negative charged surface: 194.252	Volume: 316.5
Hydrophobic surface: 500.305	Hydrophilic surface: 73.388

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.