MMsINC Database Search


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MMsINC code: MMs01514937

Type: Neutral
Formula: C₂₄H₂₂N₂O₄

SMILES:

O(C(=O)c1ccc(cc1)\C=N\OCC(=O)NC(c1ccccc1)c1ccccc1)C

InChI:

InChI=1/C24H22N2O4/c1-29-24(28)21-14-12-18(13-15-21)16-25-30-17-22(27)26-23(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-16,23H,17H2,1H3,(H,26,27)/b25-16+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.969 kcal/mol

Physical Properties
Molecular Weight: 402.45 g/mol	logS: -5.70864	SlogP: 3.825	Reactive groups: 0

Topological Properties
Globularity: 0.0506756	Sterimol/B1: 3.64017	Sterimol/B2: 4.25921	Sterimol/B3: 5.04287
Sterimol/B4: 6.92534	Sterimol/L: 21.2093

Surface and Volume Properties
Accessible surface: 735.34	Positive charged surface: 455.676	Negative charged surface: 279.664	Volume: 395.375
Hydrophobic surface: 626.787	Hydrophilic surface: 108.553

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.