MMsINC Database Search


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MMsINC code: MMs01674587

Type: Neutral
Formula: C₂₅H₂₄N₂O₂

SMILES:

O=C(NC(Cc1ccccc1)C(=O)N1CCc2c(C1)cccc2)c1ccccc1

InChI:

InChI=1/C25H24N2O2/c28-24(21-12-5-2-6-13-21)26-23(17-19-9-3-1-4-10-19)25(29)27-16-15-20-11-7-8-14-22(20)18-27/h1-14,23H,15-18H2,(H,26,28)/t23-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.417 kcal/mol

Physical Properties
Molecular Weight: 384.479 g/mol	logS: -5.37873	SlogP: 3.87894	Reactive groups: 0

Topological Properties
Globularity: 0.0629878	Sterimol/B1: 2.36628	Sterimol/B2: 2.98524	Sterimol/B3: 4.27153
Sterimol/B4: 8.95013	Sterimol/L: 17.8835

Surface and Volume Properties
Accessible surface: 645.095	Positive charged surface: 384.481	Negative charged surface: 260.614	Volume: 386.375
Hydrophobic surface: 592.977	Hydrophilic surface: 52.118

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.