MMsINC Database Search


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MMsINC code: MMs01987924

Type: Neutral
Formula: C₂₄H₁₉NO₄

SMILES:

O1c2c(cc(O)cc2)/C(=N/c2cc(ccc2)C(=O)C)/C=C1c1ccc(OC)cc1

InChI:

InChI=1/C24H19NO4/c1-15(26)17-4-3-5-18(12-17)25-22-14-24(16-6-9-20(28-2)10-7-16)29-23-11-8-19(27)13-21(22)23/h3-14,27H,1-2H3/b25-22+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=131.196 kcal/mol

Physical Properties
Molecular Weight: 385.419 g/mol	logS: -6.46782	SlogP: 5.1577	Reactive groups: 0

Topological Properties
Globularity: 0.0416786	Sterimol/B1: 2.57649	Sterimol/B2: 2.75556	Sterimol/B3: 4.24353
Sterimol/B4: 11.9607	Sterimol/L: 15.2091

Surface and Volume Properties
Accessible surface: 655.842	Positive charged surface: 397.708	Negative charged surface: 258.134	Volume: 364.75
Hydrophobic surface: 543.85	Hydrophilic surface: 111.992

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.