MMsINC Database Search


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MMsINC code: MMs01401573

Type: Neutral
Formula: C₂₄H₂₃NO₄

SMILES:

O(C)c1ccc(cc1)CC(OCC(=O)NC(c1ccccc1)c1ccccc1)=O

InChI:

InChI=1/C24H23NO4/c1-28-21-14-12-18(13-15-21)16-23(27)29-17-22(26)25-24(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,24H,16-17H2,1H3,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.7938 kcal/mol

Physical Properties
Molecular Weight: 389.451 g/mol	logS: -5.58683	SlogP: 3.78217	Reactive groups: 1

Topological Properties
Globularity: 0.0617142	Sterimol/B1: 2.70268	Sterimol/B2: 5.25173	Sterimol/B3: 5.64912
Sterimol/B4: 6.18906	Sterimol/L: 20.3559

Surface and Volume Properties
Accessible surface: 717.277	Positive charged surface: 444.545	Negative charged surface: 272.732	Volume: 385.375
Hydrophobic surface: 634.186	Hydrophilic surface: 83.091

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.