MMsINC Database Search


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MMsINC code: MMs01447039

Type: Neutral
Formula: C₂₄H₂₃NO₄

SMILES:

O(Cc1cc(ccc1)C)c1ccccc1C(OCC(=O)Nc1cc(ccc1)C)=O

InChI:

InChI=1/C24H23NO4/c1-17-7-5-9-19(13-17)15-28-22-12-4-3-11-21(22)24(27)29-16-23(26)25-20-10-6-8-18(2)14-20/h3-14H,15-16H2,1-2H3,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.77 kcal/mol

Physical Properties
Molecular Weight: 389.451 g/mol	logS: -6.52916	SlogP: 4.94434	Reactive groups: 0

Topological Properties
Globularity: 0.0379111	Sterimol/B1: 2.30512	Sterimol/B2: 2.50484	Sterimol/B3: 5.98027
Sterimol/B4: 10.5743	Sterimol/L: 19.4261

Surface and Volume Properties
Accessible surface: 724.651	Positive charged surface: 438.469	Negative charged surface: 286.183	Volume: 387
Hydrophobic surface: 643.032	Hydrophilic surface: 81.619

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.