MMsINC Database Search


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MMsINC code: MMs01580342

Type: Neutral
Formula: C₂₄H₂₃NO₄

SMILES:

Oc1ccc(cc1)C(OCC(=O)NCCC(c1ccccc1)c1ccccc1)=O

InChI:

InChI=1/C24H23NO4/c26-21-13-11-20(12-14-21)24(28)29-17-23(27)25-16-15-22(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,22,26H,15-17H2,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.114 kcal/mol

Physical Properties
Molecular Weight: 389.451 g/mol	logS: -5.25083	SlogP: 3.8874	Reactive groups: 0

Topological Properties
Globularity: 0.0492295	Sterimol/B1: 2.44744	Sterimol/B2: 3.31981	Sterimol/B3: 5.2283
Sterimol/B4: 8.03693	Sterimol/L: 21.1953

Surface and Volume Properties
Accessible surface: 714.904	Positive charged surface: 424.195	Negative charged surface: 290.709	Volume: 381.75
Hydrophobic surface: 573.012	Hydrophilic surface: 141.892

Pharmacophoric Properties
Hydrogen bond donors: 2	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.