MMsINC Database Search


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MMsINC code: MMs01781808

Type: Neutral
Formula: C₂₄H₂₁NO₄

SMILES:

O1c2c(cccc2)C(c2c1cccc2)C(=O)Nc1ccc(cc1)C(OCCC)=O

InChI:

InChI=1/C24H21NO4/c1-2-15-28-24(27)16-11-13-17(14-12-16)25-23(26)22-18-7-3-5-9-20(18)29-21-10-6-4-8-19(21)22/h3-14,22H,2,15H2,1H3,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.117 kcal/mol

Physical Properties
Molecular Weight: 387.435 g/mol	logS: -6.51846	SlogP: 5.1297	Reactive groups: 0

Topological Properties
Globularity: 0.0541811	Sterimol/B1: 3.67445	Sterimol/B2: 3.82705	Sterimol/B3: 5.5501
Sterimol/B4: 6.31037	Sterimol/L: 19.3913

Surface and Volume Properties
Accessible surface: 680.698	Positive charged surface: 408.92	Negative charged surface: 271.778	Volume: 371.25
Hydrophobic surface: 597.353	Hydrophilic surface: 83.345

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.