MMsINC Database Search


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MMsINC code: MMs01984441

Type: Neutral
Formula: C₂₃H₁₉N₃O₂

SMILES:

O(C)c1cc(ccc1OC)Cn1c2c(c3nc4c(nc13)cccc4)cccc2

InChI:

InChI=1/C23H19N3O2/c1-27-20-12-11-15(13-21(20)28-2)14-26-19-10-6-3-7-16(19)22-23(26)25-18-9-5-4-8-17(18)24-22/h3-13H,14H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=127.209 kcal/mol

Physical Properties
Molecular Weight: 369.424 g/mol	logS: -6.26175	SlogP: 5.0696	Reactive groups: 0

Topological Properties
Globularity: 0.0979213	Sterimol/B1: 2.00356	Sterimol/B2: 2.07647	Sterimol/B3: 5.44711
Sterimol/B4: 11.1612	Sterimol/L: 15.7142

Surface and Volume Properties
Accessible surface: 633.7	Positive charged surface: 419.503	Negative charged surface: 208.257	Volume: 357.25
Hydrophobic surface: 565.932	Hydrophilic surface: 67.768

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.