MMsINC Database Search


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MMsINC code: MMs00704466

Type: Neutral
Formula: C₂₄H₂₄N₂O₂

SMILES:

O(CCCCn1c2c(nc1C(O)c1ccccc1)cccc2)c1ccccc1

InChI:

InChI=1/C24H24N2O2/c27-23(19-11-3-1-4-12-19)24-25-21-15-7-8-16-22(21)26(24)17-9-10-18-28-20-13-5-2-6-14-20/h1-8,11-16,23,27H,9-10,17-18H2/t23-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.8287 kcal/mol

Physical Properties
Molecular Weight: 372.468 g/mol	logS: -5.31759	SlogP: 5.3391	Reactive groups: 0

Topological Properties
Globularity: 0.0782916	Sterimol/B1: 2.097	Sterimol/B2: 3.01611	Sterimol/B3: 4.98493
Sterimol/B4: 10.4955	Sterimol/L: 18.6348

Surface and Volume Properties
Accessible surface: 688.343	Positive charged surface: 394.529	Negative charged surface: 293.814	Volume: 378.625
Hydrophobic surface: 626.138	Hydrophilic surface: 62.205

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.