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MMsINC code: MMs02296581

Type: Neutral
Formula: C₂₅H₂₄N₂O₃

SMILES:

O1CCN(CC1)CCn1cc(c2c1cccc2)C(=O)c1c2c(cc(O)cc2)ccc1

InChI:

InChI=1/C25H24N2O3/c28-19-8-9-20-18(16-19)4-3-6-22(20)25(29)23-17-27(24-7-2-1-5-21(23)24)11-10-26-12-14-30-15-13-26/h1-9,16-17,28H,10-15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.333 kcal/mol

Physical Properties
Molecular Weight: 400.478 g/mol	logS: -5.3469	SlogP: 4.3297	Reactive groups: 0

Topological Properties
Globularity: 0.159841	Sterimol/B1: 2.55415	Sterimol/B2: 4.91968	Sterimol/B3: 5.13414
Sterimol/B4: 10.0249	Sterimol/L: 15.5994

Surface and Volume Properties
Accessible surface: 679.359	Positive charged surface: 441.579	Negative charged surface: 226.538	Volume: 394.125
Hydrophobic surface: 581.371	Hydrophilic surface: 97.988

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

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Ions/Tautomers related molecules

MMs02296582
NCID-ZINC01658770