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MMsINC code: MMs01990431

Type: Neutral
Formula: C₂₅H₂₄N₂O₃

SMILES:

OC(=O)c1cc(ccc1)C(=O)N1CCN(CC1)c1ccc(cc1)Cc1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=175.673 kcal/mol

Physical Properties
Molecular Weight: 400.478 g/mol	logS: -5.38139	SlogP: 3.93797	Reactive groups: 0

Topological Properties
Globularity: 0.0998227	Sterimol/B1: 2.70229	Sterimol/B2: 3.48905	Sterimol/B3: 5.99198
Sterimol/B4: 6.33984	Sterimol/L: 18.6974

Surface and Volume Properties
Accessible surface: 684.431	Positive charged surface: 420.812	Negative charged surface: 263.62	Volume: 391.5
Hydrophobic surface: 544.387	Hydrophilic surface: 140.044

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

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Ions/Tautomers related molecules

MMs01990432
IFLAB-ZINC02457315