MMsINC Database Search


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MMsINC code: MMs01783236

Type: Neutral
Formula: C₂₄H₂₃NO₄

SMILES:

O1c2c(cc3c(oc(C)c3C)c2)C(C)=C(CCC(=O)Nc2cc(ccc2)C)C1=O

InChI:

InChI=1/C24H23NO4/c1-13-6-5-7-17(10-13)25-23(26)9-8-18-15(3)20-11-19-14(2)16(4)28-21(19)12-22(20)29-24(18)27/h5-7,10-12H,8-9H2,1-4H3,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.5695 kcal/mol

Physical Properties
Molecular Weight: 389.451 g/mol	logS: -7.26437	SlogP: 5.46946	Reactive groups: 0

Topological Properties
Globularity: 0.0324909	Sterimol/B1: 2.4222	Sterimol/B2: 4.37251	Sterimol/B3: 4.70394
Sterimol/B4: 5.0268	Sterimol/L: 22.073

Surface and Volume Properties
Accessible surface: 676.599	Positive charged surface: 396.623	Negative charged surface: 274.184	Volume: 378.5
Hydrophobic surface: 569.632	Hydrophilic surface: 106.967

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.