MMsINC Database Search


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MMsINC code: MMs00975714

Type: Neutral
Formula: C₂₄H₁₉N₃O₂

SMILES:

O(C)c1cc(ccc1OC)-c1nn(c2c1cnc1c2cccc1)-c1ccccc1

InChI:

InChI=1/C24H19N3O2/c1-28-21-13-12-16(14-22(21)29-2)23-19-15-25-20-11-7-6-10-18(20)24(19)27(26-23)17-8-4-3-5-9-17/h3-15H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=160.966 kcal/mol

Physical Properties
Molecular Weight: 381.435 g/mol	logS: -6.46995	SlogP: 5.2579	Reactive groups: 0

Topological Properties
Globularity: 0.0448375	Sterimol/B1: 2.87062	Sterimol/B2: 4.24563	Sterimol/B3: 4.87552
Sterimol/B4: 7.43909	Sterimol/L: 16.9095

Surface and Volume Properties
Accessible surface: 649.535	Positive charged surface: 419.419	Negative charged surface: 220.224	Volume: 368.875
Hydrophobic surface: 595.151	Hydrophilic surface: 54.384

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.