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MMsINC code: MMs02446339

Type: Neutral
Formula: C₂₄H₁₉NO₄

SMILES:

O1c2c(cccc2)C(O)=C(C(C\C(=N/O)\c2ccccc2)c2ccccc2)C1=O

InChI:

InChI=1/C24H19NO4/c26-23-18-13-7-8-14-21(18)29-24(27)22(23)19(16-9-3-1-4-10-16)15-20(25-28)17-11-5-2-6-12-17/h1-14,19,26,28H,15H2/b25-20-/t19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=146.414 kcal/mol

Physical Properties
Molecular Weight: 385.419 g/mol	logS: -5.95499	SlogP: 4.9271	Reactive groups: 0

Topological Properties
Globularity: 0.114835	Sterimol/B1: 2.53181	Sterimol/B2: 3.10748	Sterimol/B3: 5.56604
Sterimol/B4: 10.1076	Sterimol/L: 16.5696

Surface and Volume Properties
Accessible surface: 631.669	Positive charged surface: 363.408	Negative charged surface: 268.261	Volume: 364.25
Hydrophobic surface: 516.058	Hydrophilic surface: 115.611

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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: no related molecules available.