MMsINC Database Search


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MMsINC code: MMs00714869

Type: Neutral
Formula: C₂₄H₁₉N₃O₃

SMILES:

O(C)c1ccc(cc1)-c1nc2c(cccc2)c(c1)C(=O)Nc1ccc(cc1)C(=O)N

InChI:

InChI=1/C24H19N3O3/c1-30-18-12-8-15(9-13-18)22-14-20(19-4-2-3-5-21(19)27-22)24(29)26-17-10-6-16(7-11-17)23(25)28/h2-14H,1H3,(H2,25,28)(H,26,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=132.676 kcal/mol

Physical Properties
Molecular Weight: 397.434 g/mol	logS: -6.64109	SlogP: 4.2616	Reactive groups: 0

Topological Properties
Globularity: 0.0134917	Sterimol/B1: 2.07704	Sterimol/B2: 2.55428	Sterimol/B3: 3.146
Sterimol/B4: 12.0607	Sterimol/L: 18.9124

Surface and Volume Properties
Accessible surface: 677.381	Positive charged surface: 392.983	Negative charged surface: 272.491	Volume: 373
Hydrophobic surface: 514.344	Hydrophilic surface: 163.037

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.