MMsINC Database Search


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MMsINC code: MMs01689406

Type: Neutral
Formula: C₂₄H₂₀N₂O₃

SMILES:

o1c2c(cc(OC)cc2)c(C)c1C(=O)Nc1cc(ccc1)\C=C\c1ncccc1

InChI:

InChI=1/C24H20N2O3/c1-16-21-15-20(28-2)11-12-22(21)29-23(16)24(27)26-19-8-5-6-17(14-19)9-10-18-7-3-4-13-25-18/h3-15H,1-2H3,(H,26,27)/b10-9+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.081 kcal/mol

Physical Properties
Molecular Weight: 384.435 g/mol	logS: -6.30603	SlogP: 5.56752	Reactive groups: 0

Topological Properties
Globularity: 0.0152211	Sterimol/B1: 2.56209	Sterimol/B2: 3.53281	Sterimol/B3: 4.4443
Sterimol/B4: 8.01244	Sterimol/L: 22.5942

Surface and Volume Properties
Accessible surface: 687.348	Positive charged surface: 434.249	Negative charged surface: 247.59	Volume: 373
Hydrophobic surface: 620.086	Hydrophilic surface: 67.262

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.