MMsINC Database Search


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MMsINC code: MMs01368390

Type: Neutral
Formula: C₂₄H₂₁NO₄

SMILES:

O(C(=O)c1ccccc1C(=O)c1ccccc1)CC(=O)NCCc1ccccc1

InChI:

InChI=1/C24H21NO4/c26-22(25-16-15-18-9-3-1-4-10-18)17-29-24(28)21-14-8-7-13-20(21)23(27)19-11-5-2-6-12-19/h1-14H,15-17H2,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.243 kcal/mol

Physical Properties
Molecular Weight: 387.435 g/mol	logS: -5.84136	SlogP: 3.43327	Reactive groups: 0

Topological Properties
Globularity: 0.0485299	Sterimol/B1: 3.51701	Sterimol/B2: 4.65552	Sterimol/B3: 5.88157
Sterimol/B4: 6.23453	Sterimol/L: 19.3633

Surface and Volume Properties
Accessible surface: 697.444	Positive charged surface: 401.092	Negative charged surface: 296.352	Volume: 380.125
Hydrophobic surface: 597.454	Hydrophilic surface: 99.99

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.