MMsINC Database Search


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MMsINC code: MMs01680387

Type: Neutral
Formula: C₂₄H₂₄N₂O

SMILES:

O=C(N1CCc2c(C1)cccc2)CNC(c1ccccc1)c1ccccc1

InChI:

InChI=1/C24H24N2O/c27-23(26-16-15-19-9-7-8-14-22(19)18-26)17-25-24(20-10-3-1-4-11-20)21-12-5-2-6-13-21/h1-14,24-25H,15-18H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.024 kcal/mol

Physical Properties
Molecular Weight: 356.469 g/mol	logS: -4.91163	SlogP: 4.31237	Reactive groups: 0

Topological Properties
Globularity: 0.145668	Sterimol/B1: 2.43835	Sterimol/B2: 3.77761	Sterimol/B3: 5.17169
Sterimol/B4: 8.91058	Sterimol/L: 16.6226

Surface and Volume Properties
Accessible surface: 653.644	Positive charged surface: 387.492	Negative charged surface: 266.152	Volume: 368
Hydrophobic surface: 613.657	Hydrophilic surface: 39.987

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.