MMsINC Database Search


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MMsINC code: MMs00873580

Type: Neutral
Formula: C₂₄H₂₅NO₄

SMILES:

O(C)c1c(OC)cc(cc1OC)C(=O)N(Cc1ccccc1)Cc1ccccc1

InChI:

InChI=1/C24H25NO4/c1-27-21-14-20(15-22(28-2)23(21)29-3)24(26)25(16-18-10-6-4-7-11-18)17-19-12-8-5-9-13-19/h4-15H,16-17H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=168.164 kcal/mol

Physical Properties
Molecular Weight: 391.467 g/mol	logS: -5.11196	SlogP: 5.0878	Reactive groups: 0

Topological Properties
Globularity: 0.0782813	Sterimol/B1: 3.03741	Sterimol/B2: 3.72207	Sterimol/B3: 3.81356
Sterimol/B4: 10.2332	Sterimol/L: 14.9839

Surface and Volume Properties
Accessible surface: 651.597	Positive charged surface: 454.086	Negative charged surface: 197.511	Volume: 388.875
Hydrophobic surface: 595.374	Hydrophilic surface: 56.223

Pharmacophoric Properties
Hydrogen bond donors: 0	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.