MMsINC Database Search


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MMsINC code: MMs00648809

Type: Neutral
Formula: C₂₄H₂₃NO₄

SMILES:

O(C(=O)COc1cc(C)c(cc1)C)c1ccc(cc1)C(=O)Nc1ccc(cc1)C

InChI:

InChI=1/C24H23NO4/c1-16-4-9-20(10-5-16)25-24(27)19-7-12-21(13-8-19)29-23(26)15-28-22-11-6-17(2)18(3)14-22/h4-14H,15H2,1-3H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=130.118 kcal/mol

Physical Properties
Molecular Weight: 389.451 g/mol	logS: -6.96751	SlogP: 4.84856	Reactive groups: 0

Topological Properties
Globularity: 0.024875	Sterimol/B1: 3.76092	Sterimol/B2: 3.86021	Sterimol/B3: 3.86938
Sterimol/B4: 4.32517	Sterimol/L: 24.3766

Surface and Volume Properties
Accessible surface: 718.554	Positive charged surface: 416.496	Negative charged surface: 302.058	Volume: 382.625
Hydrophobic surface: 636.058	Hydrophilic surface: 82.496

Pharmacophoric Properties
Hydrogen bond donors: 1	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: no related molecules available.