MMsINC Database Search


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MMsINC code: MMs00514935

Type: Neutral
Formula: C₂₄H₂₁N₃O₂

SMILES:

O(C)c1cc(ccc1OC)Cn1c2c(cc(cc2)C)c2nc3c(nc12)cccc3

InChI:

InChI=1/C24H21N3O2/c1-15-8-10-20-17(12-15)23-24(26-19-7-5-4-6-18(19)25-23)27(20)14-16-9-11-21(28-2)22(13-16)29-3/h4-13H,14H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=129.899 kcal/mol

Physical Properties
Molecular Weight: 383.451 g/mol	logS: -6.73567	SlogP: 5.37802	Reactive groups: 0

Topological Properties
Globularity: 0.113367	Sterimol/B1: 2.12841	Sterimol/B2: 2.66599	Sterimol/B3: 5.25576
Sterimol/B4: 11.6462	Sterimol/L: 15.3086

Surface and Volume Properties
Accessible surface: 651.491	Positive charged surface: 439.112	Negative charged surface: 206.751	Volume: 376.375
Hydrophobic surface: 585.416	Hydrophilic surface: 66.075

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.