MMsINC Database Search


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MMsINC code: MMs00957925

Type: Neutral
Formula: C₂₄H₂₄N₂O₂

SMILES:

O(CC)c1ccc2c(cccc2)c1C(=O)NCCn1c2c(cc1C)cccc2

InChI:

InChI=1/C24H24N2O2/c1-3-28-22-13-12-18-8-4-6-10-20(18)23(22)24(27)25-14-15-26-17(2)16-19-9-5-7-11-21(19)26/h4-13,16H,3,14-15H2,1-2H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.9812 kcal/mol

Physical Properties
Molecular Weight: 372.468 g/mol	logS: -6.07812	SlogP: 5.19802	Reactive groups: 0

Topological Properties
Globularity: 0.0268663	Sterimol/B1: 2.45092	Sterimol/B2: 3.23269	Sterimol/B3: 3.55772
Sterimol/B4: 10.7409	Sterimol/L: 17.2536

Surface and Volume Properties
Accessible surface: 687.365	Positive charged surface: 406.265	Negative charged surface: 264.603	Volume: 377
Hydrophobic surface: 618.505	Hydrophilic surface: 68.86

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.