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MMsINC code: MMs01725262

Type: Neutral
Formula: C₂₄H₂₅NO₄

SMILES:

O1c2c(cccc2C(OCCN2CCCCC2)=O)C(=O)C(C)=C1c1ccccc1

InChI:

InChI=1/C24H25NO4/c1-17-21(26)19-11-8-12-20(23(19)29-22(17)18-9-4-2-5-10-18)24(27)28-16-15-25-13-6-3-7-14-25/h2,4-5,8-12H,3,6-7,13-16H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.1577 kcal/mol

Physical Properties
Molecular Weight: 391.467 g/mol	logS: -5.59921	SlogP: 4.3356	Reactive groups: 1

Topological Properties
Globularity: 0.059597	Sterimol/B1: 3.27033	Sterimol/B2: 4.70576	Sterimol/B3: 4.90538
Sterimol/B4: 7.20017	Sterimol/L: 17.4059

Surface and Volume Properties
Accessible surface: 676.386	Positive charged surface: 464.291	Negative charged surface: 212.095	Volume: 382.625
Hydrophobic surface: 613.67	Hydrophilic surface: 62.716

Pharmacophoric Properties
Hydrogen bond donors: 0	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

MMs01725263
FDA-ZINC00608382