MMsINC Database Search


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MMsINC code: MMs03286374

Type: Neutral
Formula: C₂₄H₂₃NO₃

SMILES:

O(C(C(=O)NC(Cc1ccccc1)c1ccccc1)c1ccccc1)C(=O)C

InChI:

InChI=1/C24H23NO3/c1-18(26)28-23(21-15-9-4-10-16-21)24(27)25-22(20-13-7-3-8-14-20)17-19-11-5-2-6-12-19/h2-16,22-23H,17H2,1H3,(H,25,27)/t22-,23+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.1707 kcal/mol

Physical Properties
Molecular Weight: 373.452 g/mol	logS: -5.54381	SlogP: 4.58197	Reactive groups: 0

Topological Properties
Globularity: 0.180198	Sterimol/B1: 2.42306	Sterimol/B2: 2.7035	Sterimol/B3: 5.27969
Sterimol/B4: 11.5604	Sterimol/L: 14.4104

Surface and Volume Properties
Accessible surface: 635.724	Positive charged surface: 370.535	Negative charged surface: 265.189	Volume: 379.25
Hydrophobic surface: 575.027	Hydrophilic surface: 60.697

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.