MMsINC Database Search


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MMsINC code: MMs01762872

Type: Neutral
Formula: C₂₄H₁₉NO₄

SMILES:

O1c2cc(OCC(=O)Nc3ccc(cc3)C)ccc2C=C(c2ccccc2)C1=O

InChI:

InChI=1/C24H19NO4/c1-16-7-10-19(11-8-16)25-23(26)15-28-20-12-9-18-13-21(17-5-3-2-4-6-17)24(27)29-22(18)14-20/h2-14H,15H2,1H3,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=131.468 kcal/mol

Physical Properties
Molecular Weight: 385.419 g/mol	logS: -7.06922	SlogP: 4.47212	Reactive groups: 0

Topological Properties
Globularity: 0.0114249	Sterimol/B1: 2.9925	Sterimol/B2: 3.05234	Sterimol/B3: 3.33171
Sterimol/B4: 4.74172	Sterimol/L: 23.7548

Surface and Volume Properties
Accessible surface: 689.474	Positive charged surface: 385.635	Negative charged surface: 303.839	Volume: 367.875
Hydrophobic surface: 577.131	Hydrophilic surface: 112.343

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: no related molecules available.