MMsINC Database Search


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MMsINC code: MMs01852346

Type: Neutral
Formula: C₂₄H₂₁NO₄

SMILES:

O1c2c(cc(O)c(c2)-c2ccccc2)C(=CC1=O)CNc1cc(ccc1OC)C

InChI:

InChI=1/C24H21NO4/c1-15-8-9-22(28-2)20(10-15)25-14-17-11-24(27)29-23-13-18(21(26)12-19(17)23)16-6-4-3-5-7-16/h3-13,25-26H,14H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.358 kcal/mol

Physical Properties
Molecular Weight: 387.435 g/mol	logS: -6.96012	SlogP: 4.79072	Reactive groups: 0

Topological Properties
Globularity: 0.147248	Sterimol/B1: 2.0868	Sterimol/B2: 3.37963	Sterimol/B3: 7.62449
Sterimol/B4: 8.51945	Sterimol/L: 17.9387

Surface and Volume Properties
Accessible surface: 664.717	Positive charged surface: 413.676	Negative charged surface: 247.424	Volume: 372.125
Hydrophobic surface: 540.764	Hydrophilic surface: 123.953

Pharmacophoric Properties
Hydrogen bond donors: 2	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.