MMsINC Database Search


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MMsINC code: MMs02830658

Type: Neutral
Formula: C₂₄H₂₃NO₄

SMILES:

O(C)c1cc(NC(=O)\C=C\c2ccc(OCc3ccccc3)cc2)ccc1OC

InChI:

InChI=1/C24H23NO4/c1-27-22-14-11-20(16-23(22)28-2)25-24(26)15-10-18-8-12-21(13-9-18)29-17-19-6-4-3-5-7-19/h3-16H,17H2,1-2H3,(H,25,26)/b15-10+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=127.105 kcal/mol

Physical Properties
Molecular Weight: 389.451 g/mol	logS: -5.77973	SlogP: 5.2011	Reactive groups: 0

Topological Properties
Globularity: 0.0178649	Sterimol/B1: 2.789	Sterimol/B2: 3.22214	Sterimol/B3: 3.65018
Sterimol/B4: 7.38341	Sterimol/L: 24.4567

Surface and Volume Properties
Accessible surface: 723.402	Positive charged surface: 464.893	Negative charged surface: 258.509	Volume: 385.125
Hydrophobic surface: 650.455	Hydrophilic surface: 72.947

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.