MMsINC Database Search


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MMsINC code: MMs02961311

Type: Neutral
Formula: C₂₄H₂₆N₂O₂

SMILES:

O=C(C)c1cc(n(CCC(=O)Nc2cc(ccc2)CC)c1C)-c1ccccc1

InChI:

InChI=1/C24H26N2O2/c1-4-19-9-8-12-21(15-19)25-24(28)13-14-26-17(2)22(18(3)27)16-23(26)20-10-6-5-7-11-20/h5-12,15-16H,4,13-14H2,1-3H3,(H,25,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.6704 kcal/mol

Physical Properties
Molecular Weight: 374.484 g/mol	logS: -5.61044	SlogP: 5.52369	Reactive groups: 0

Topological Properties
Globularity: 0.0613713	Sterimol/B1: 2.13802	Sterimol/B2: 4.7402	Sterimol/B3: 6.16509
Sterimol/B4: 7.64042	Sterimol/L: 19.1137

Surface and Volume Properties
Accessible surface: 685.427	Positive charged surface: 409.195	Negative charged surface: 276.231	Volume: 388.625
Hydrophobic surface: 582.456	Hydrophilic surface: 102.971

Pharmacophoric Properties
Hydrogen bond donors: 1	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.