MMsINC Database Search


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MMsINC code: MMs01618531

Type: Neutral
Formula: C₂₄H₂₄N₂O₃

SMILES:

O(C)c1ccc(NC(=O)CN(C(=O)C(c2ccccc2)c2ccccc2)C)cc1

InChI:

InChI=1/C24H24N2O3/c1-26(17-22(27)25-20-13-15-21(29-2)16-14-20)24(28)23(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-16,23H,17H2,1-2H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=144.663 kcal/mol

Physical Properties
Molecular Weight: 388.467 g/mol	logS: -5.17576	SlogP: 3.9242	Reactive groups: 0

Topological Properties
Globularity: 0.151983	Sterimol/B1: 2.07372	Sterimol/B2: 3.84071	Sterimol/B3: 7.62643
Sterimol/B4: 8.73443	Sterimol/L: 17.9145

Surface and Volume Properties
Accessible surface: 668.32	Positive charged surface: 434.894	Negative charged surface: 233.425	Volume: 387.75
Hydrophobic surface: 607.251	Hydrophilic surface: 61.069

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.