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MMsINC code: MMs01363970

Type: Neutral
Formula: C₂₄H₂₀N₂O₃

SMILES:

O(C)c1cc(N2C(=O)/C(/c3c(cccc3)C2=O)=C\Nc2cc(ccc2)C)ccc1

InChI:

InChI=1/C24H20N2O3/c1-16-7-5-8-17(13-16)25-15-22-20-11-3-4-12-21(20)23(27)26(24(22)28)18-9-6-10-19(14-18)29-2/h3-15,25H,1-2H3/b22-15-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=139.283 kcal/mol

Physical Properties
Molecular Weight: 384.435 g/mol	logS: -6.15585	SlogP: 4.64362	Reactive groups: 0

Topological Properties
Globularity: 0.0439261	Sterimol/B1: 2.07705	Sterimol/B2: 3.47599	Sterimol/B3: 4.34587
Sterimol/B4: 11.6852	Sterimol/L: 17.2755

Surface and Volume Properties
Accessible surface: 651.875	Positive charged surface: 377.037	Negative charged surface: 274.838	Volume: 372
Hydrophobic surface: 587.831	Hydrophilic surface: 64.044

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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

MMs01363971
ENAMINE-ZINC03311101