MMsINC Database Search


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MMsINC code: MMs01349780

Type: Neutral
Formula: C₂₂H₁₅N₃O₂

SMILES:

o1c2c(ncnc2Nc2ccc(Oc3ccccc3)cc2)c2c1cccc2

InChI:

InChI=1/C22H15N3O2/c1-2-6-16(7-3-1)26-17-12-10-15(11-13-17)25-22-21-20(23-14-24-22)18-8-4-5-9-19(18)27-21/h1-14H,(H,23,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.443 kcal/mol

Physical Properties
Molecular Weight: 353.381 g/mol	logS: -7.26284	SlogP: 5.9119	Reactive groups: 0

Topological Properties
Globularity: 0.0273387	Sterimol/B1: 2.097	Sterimol/B2: 3.28894	Sterimol/B3: 4.849
Sterimol/B4: 6.35741	Sterimol/L: 20.3254

Surface and Volume Properties
Accessible surface: 611.224	Positive charged surface: 361.702	Negative charged surface: 244.112	Volume: 333.25
Hydrophobic surface: 521.654	Hydrophilic surface: 89.57

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.