MMsINC Database Search


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MMsINC code: MMs01910753

Type: Neutral
Formula: C₂₄H₁₉N₃O₂

SMILES:

O=C1N(C)C(=O)N(c2c1c(n(c2)-c1c2c(ccc1)cccc2)-c1ccccc1)C

InChI:

InChI=1/C24H19N3O2/c1-25-20-15-27(19-14-8-12-16-9-6-7-13-18(16)19)22(17-10-4-3-5-11-17)21(20)23(28)26(2)24(25)29/h3-15H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.1751 kcal/mol

Physical Properties
Molecular Weight: 381.435 g/mol	logS: -6.16007	SlogP: 4.9393	Reactive groups: 0

Topological Properties
Globularity: 0.175328	Sterimol/B1: 2.10429	Sterimol/B2: 4.54524	Sterimol/B3: 4.57457
Sterimol/B4: 9.24319	Sterimol/L: 14.7275

Surface and Volume Properties
Accessible surface: 606.024	Positive charged surface: 396.262	Negative charged surface: 202.949	Volume: 367.125
Hydrophobic surface: 537.885	Hydrophilic surface: 68.139

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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: 0

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Ions/Tautomers related molecules: no related molecules available.