MMsINC Database Search


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MMsINC code: MMs00699025

Type: Neutral
Formula: C₂₄H₂₁NO₄

SMILES:

O(C(=O)CNC(=O)Cc1ccccc1)CC(=O)c1ccc(cc1)-c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.677 kcal/mol

Physical Properties
Molecular Weight: 387.435 g/mol	logS: -6.52628	SlogP: 3.43837	Reactive groups: 1

Topological Properties
Globularity: 0.012439	Sterimol/B1: 3.61721	Sterimol/B2: 3.61771	Sterimol/B3: 4.05267
Sterimol/B4: 4.81107	Sterimol/L: 25.2882

Surface and Volume Properties
Accessible surface: 710.875	Positive charged surface: 392.882	Negative charged surface: 307.743	Volume: 374.25
Hydrophobic surface: 583.043	Hydrophilic surface: 127.832

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.