MMsINC Database Search


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MMsINC code: MMs02773726

Type: Neutral
Formula: C₂₄H₂₂N₂O₂

SMILES:

o1c2cc(ccc2nc1-c1cc(NC(=O)c2cc(cc(c2)C)C)c(cc1)C)C

InChI:

InChI=1/C24H22N2O2/c1-14-5-8-20-22(12-14)28-24(26-20)18-7-6-17(4)21(13-18)25-23(27)19-10-15(2)9-16(3)11-19/h5-13H,1-4H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.143 kcal/mol

Physical Properties
Molecular Weight: 370.452 g/mol	logS: -8.25277	SlogP: 5.98078	Reactive groups: 0

Topological Properties
Globularity: 0.0161755	Sterimol/B1: 3.04021	Sterimol/B2: 3.4635	Sterimol/B3: 4.61299
Sterimol/B4: 7.8782	Sterimol/L: 19.4583

Surface and Volume Properties
Accessible surface: 686.705	Positive charged surface: 403.39	Negative charged surface: 283.315	Volume: 371.875
Hydrophobic surface: 619.256	Hydrophilic surface: 67.449

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.