MMsINC Database Search


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MMsINC code: MMs01493689

Type: Neutral
Formula: C₂₄H₂₃NO₅

SMILES:

O(C)c1cc(OC)ccc1C(OC(C(=O)Nc1ccc(cc1)C)c1ccccc1)=O

InChI:

InChI=1/C24H23NO5/c1-16-9-11-18(12-10-16)25-23(26)22(17-7-5-4-6-8-17)30-24(27)20-14-13-19(28-2)15-21(20)29-3/h4-15,22H,1-3H3,(H,25,26)/t22-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=133.431 kcal/mol

Physical Properties
Molecular Weight: 405.45 g/mol	logS: -6.10562	SlogP: 4.64452	Reactive groups: 0

Topological Properties
Globularity: 0.109346	Sterimol/B1: 2.99732	Sterimol/B2: 4.32058	Sterimol/B3: 5.49394
Sterimol/B4: 9.38741	Sterimol/L: 18.6698

Surface and Volume Properties
Accessible surface: 721.194	Positive charged surface: 470.803	Negative charged surface: 250.391	Volume: 392
Hydrophobic surface: 651.8	Hydrophilic surface: 69.394

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.