MMsINC Database Search


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MMsINC code: MMs01436536

Type: Neutral
Formula: C₂₃H₂₂N₄O₂

SMILES:

O(C)c1cc(ccc1OC)CN(C)c1nc(nc2c1cccc2)-c1cccnc1

InChI:

InChI=1/C23H22N4O2/c1-27(15-16-10-11-20(28-2)21(13-16)29-3)23-18-8-4-5-9-19(18)25-22(26-23)17-7-6-12-24-14-17/h4-14H,15H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=147.415 kcal/mol

Physical Properties
Molecular Weight: 386.455 g/mol	logS: -5.66927	SlogP: 4.6118	Reactive groups: 0

Topological Properties
Globularity: 0.0553693	Sterimol/B1: 2.32801	Sterimol/B2: 5.10458	Sterimol/B3: 5.52796
Sterimol/B4: 7.32598	Sterimol/L: 18.5155

Surface and Volume Properties
Accessible surface: 666.917	Positive charged surface: 487.613	Negative charged surface: 170.097	Volume: 379.5
Hydrophobic surface: 605.244	Hydrophilic surface: 61.673

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	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.