MMsINC Database Search


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MMsINC code: MMs01990283

Type: Neutral
Formula: C₂₅H₂₄N₂O₃

SMILES:

OC(=O)c1ccc(cc1)C(=O)N1CCN(CC1)C(c1ccccc1)c1ccccc1

InChI:

InChI=1/C25H24N2O3/c28-24(21-11-13-22(14-12-21)25(29)30)27-17-15-26(16-18-27)23(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,23H,15-18H2,(H,29,30)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=145.108 kcal/mol

Physical Properties
Molecular Weight: 400.478 g/mol	logS: -4.97695	SlogP: 4.0277	Reactive groups: 0

Topological Properties
Globularity: 0.0837325	Sterimol/B1: 3.14593	Sterimol/B2: 3.48025	Sterimol/B3: 4.43154
Sterimol/B4: 8.79736	Sterimol/L: 18.1069

Surface and Volume Properties
Accessible surface: 672.354	Positive charged surface: 403.04	Negative charged surface: 269.313	Volume: 391
Hydrophobic surface: 541.031	Hydrophilic surface: 131.323

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.