MMsINC Database Search


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MMsINC code: MMs01190944

Type: Neutral
Formula: C₂₃H₂₁N₃O₃

SMILES:

o1c2c(nc1-c1cc(N(C)C)ccc1)cc(NC(=O)c1ccccc1OC)cc2

InChI:

InChI=1/C23H21N3O3/c1-26(2)17-8-6-7-15(13-17)23-25-19-14-16(11-12-21(19)29-23)24-22(27)18-9-4-5-10-20(18)28-3/h4-14H,1-3H3,(H,24,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=129.024 kcal/mol

Physical Properties
Molecular Weight: 387.439 g/mol	logS: -6.64833	SlogP: 4.8217	Reactive groups: 0

Topological Properties
Globularity: 0.0123596	Sterimol/B1: 3.13031	Sterimol/B2: 3.21236	Sterimol/B3: 4.52725
Sterimol/B4: 5.455	Sterimol/L: 21.4997

Surface and Volume Properties
Accessible surface: 685.764	Positive charged surface: 474.334	Negative charged surface: 211.43	Volume: 373.625
Hydrophobic surface: 610.657	Hydrophilic surface: 75.107

Pharmacophoric Properties
Hydrogen bond donors: 1	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.