MMsINC Database Search


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MMsINC code: MMs01380019

Type: Neutral
Formula: C₂₄H₂₃NO₅

SMILES:

O(CC(=O)Nc1ccccc1OCC)c1cc(OC)ccc1C(=O)c1ccccc1

InChI:

InChI=1/C24H23NO5/c1-3-29-21-12-8-7-11-20(21)25-23(26)16-30-22-15-18(28-2)13-14-19(22)24(27)17-9-5-4-6-10-17/h4-15H,3,16H2,1-2H3,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=142.955 kcal/mol

Physical Properties
Molecular Weight: 405.45 g/mol	logS: -5.93247	SlogP: 4.3424	Reactive groups: 0

Topological Properties
Globularity: 0.0469628	Sterimol/B1: 4.00803	Sterimol/B2: 4.18547	Sterimol/B3: 4.41937
Sterimol/B4: 10.329	Sterimol/L: 16.0973

Surface and Volume Properties
Accessible surface: 718.244	Positive charged surface: 463.696	Negative charged surface: 254.549	Volume: 391.875
Hydrophobic surface: 610.05	Hydrophilic surface: 108.194

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	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.