MMsINC Database Search


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MMsINC code: MMs02572252

Type: Neutral
Formula: C₂₃H₂₁NO₄

SMILES:

O(CC)c1ccc(NC(=O)COC(=O)c2ccc(cc2)-c2ccccc2)cc1

InChI:

InChI=1/C23H21NO4/c1-2-27-21-14-12-20(13-15-21)24-22(25)16-28-23(26)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-15H,2,16H2,1H3,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.699 kcal/mol

Physical Properties
Molecular Weight: 375.424 g/mol	logS: -6.56701	SlogP: 4.5478	Reactive groups: 0

Topological Properties
Globularity: 0.00695024	Sterimol/B1: 2.73253	Sterimol/B2: 3.14147	Sterimol/B3: 3.22955
Sterimol/B4: 7.23351	Sterimol/L: 23.6649

Surface and Volume Properties
Accessible surface: 688.271	Positive charged surface: 399.08	Negative charged surface: 279.135	Volume: 368.75
Hydrophobic surface: 572.225	Hydrophilic surface: 116.046

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.