MMsINC Database Search


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MMsINC code: MMs03016478

Type: Neutral
Formula: C₂₃H₁₉N₃O₂

SMILES:

O(C)c1ccc(cc1)-c1nc2c(cccc2)c(c1)C(=O)NCc1ccncc1

InChI:

InChI=1/C23H19N3O2/c1-28-18-8-6-17(7-9-18)22-14-20(19-4-2-3-5-21(19)26-22)23(27)25-15-16-10-12-24-13-11-16/h2-14H,15H2,1H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.685 kcal/mol

Physical Properties
Molecular Weight: 369.424 g/mol	logS: -5.07487	SlogP: 4.5018	Reactive groups: 0

Topological Properties
Globularity: 0.0465407	Sterimol/B1: 2.20286	Sterimol/B2: 3.59928	Sterimol/B3: 3.73062
Sterimol/B4: 12.6918	Sterimol/L: 14.1706

Surface and Volume Properties
Accessible surface: 665.364	Positive charged surface: 425.16	Negative charged surface: 227.701	Volume: 359.5
Hydrophobic surface: 580.394	Hydrophilic surface: 84.97

Pharmacophoric Properties
Hydrogen bond donors: 1	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.