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MMsINC code: MMs00689436

Type: Neutral
Formula: C₂₅H₂₆N₂O₂

SMILES:

O=C(NCC(C)C)c1ccccc1NC(=O)C(c1ccccc1)c1ccccc1

InChI:

InChI=1/C25H26N2O2/c1-18(2)17-26-24(28)21-15-9-10-16-22(21)27-25(29)23(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-16,18,23H,17H2,1-2H3,(H,26,28)(H,27,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.255 kcal/mol

Physical Properties
Molecular Weight: 386.495 g/mol	logS: -5.93568	SlogP: 4.843	Reactive groups: 0

Topological Properties
Globularity: 0.145669	Sterimol/B1: 3.87843	Sterimol/B2: 4.77873	Sterimol/B3: 5.89333
Sterimol/B4: 8.33013	Sterimol/L: 17.927

Surface and Volume Properties
Accessible surface: 697.897	Positive charged surface: 422.335	Negative charged surface: 275.562	Volume: 395.5
Hydrophobic surface: 610.213	Hydrophilic surface: 87.684

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

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Ions/Tautomers related molecules: no related molecules available.