MMsINC Database Search


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MMsINC code: MMs02354065

Type: Neutral
Formula: C₂₅H₂₈N₂O₂

SMILES:

O=C1N(N(C(=O)C1(CC=C(C)C)CC=C(C)C)c1ccccc1)c1ccccc1

InChI:

InChI=1/C25H28N2O2/c1-19(2)15-17-25(18-16-20(3)4)23(28)26(21-11-7-5-8-12-21)27(24(25)29)22-13-9-6-10-14-22/h5-16H,17-18H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=121.943 kcal/mol

Physical Properties
Molecular Weight: 388.511 g/mol	logS: -6.59492	SlogP: 5.6804	Reactive groups: 0

Topological Properties
Globularity: 0.492761	Sterimol/B1: 2.45902	Sterimol/B2: 5.37864	Sterimol/B3: 6.38371
Sterimol/B4: 9.56324	Sterimol/L: 13.5248

Surface and Volume Properties
Accessible surface: 639.548	Positive charged surface: 385.756	Negative charged surface: 253.793	Volume: 399.375
Hydrophobic surface: 590.849	Hydrophilic surface: 48.699

Pharmacophoric Properties
Hydrogen bond donors: 0	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.