MMsINC Database Search


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MMsINC code: MMs01081704

Type: Neutral
Formula: C₂₅H₂₄N₂O₂

SMILES:

o1c2c(nc1-c1cc(NC(=O)c3ccc(cc3C)C)ccc1)cc(cc2)C(C)C

InChI:

InChI=1/C25H24N2O2/c1-15(2)18-9-11-23-22(14-18)27-25(29-23)19-6-5-7-20(13-19)26-24(28)21-10-8-16(3)12-17(21)4/h5-15H,1-4H3,(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=112.491 kcal/mol

Physical Properties
Molecular Weight: 384.479 g/mol	logS: -9.12274	SlogP: 6.48734	Reactive groups: 0

Topological Properties
Globularity: 0.0238701	Sterimol/B1: 2.5712	Sterimol/B2: 3.14969	Sterimol/B3: 3.98182
Sterimol/B4: 8.71111	Sterimol/L: 21.1842

Surface and Volume Properties
Accessible surface: 698.998	Positive charged surface: 429.907	Negative charged surface: 269.091	Volume: 388.5
Hydrophobic surface: 593.847	Hydrophilic surface: 105.151

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.