MMsINC Database Search


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MMsINC code: MMs01420614

Type: Neutral
Formula: C₂₄H₂₃NO₄

SMILES:

O(C)c1ccc(cc1)CNC(=O)COC(=O)C(c1ccccc1)c1ccccc1

InChI:

InChI=1/C24H23NO4/c1-28-21-14-12-18(13-15-21)16-25-22(26)17-29-24(27)23(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,23H,16-17H2,1H3,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=112.751 kcal/mol

Physical Properties
Molecular Weight: 389.451 g/mol	logS: -5.46139	SlogP: 3.9531	Reactive groups: 0

Topological Properties
Globularity: 0.0674673	Sterimol/B1: 2.68859	Sterimol/B2: 4.38295	Sterimol/B3: 5.59507
Sterimol/B4: 6.82887	Sterimol/L: 20.3728

Surface and Volume Properties
Accessible surface: 705.289	Positive charged surface: 447.823	Negative charged surface: 257.466	Volume: 384.25
Hydrophobic surface: 614.06	Hydrophilic surface: 91.229

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.