MMsINC Database Search


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MMsINC code: MMs01178277

Type: Neutral
Formula: C₂₄H₂₃NO₃

SMILES:

O(C(=O)c1ccccc1C(=O)N(Cc1ccccc1C)Cc1ccccc1)C

InChI:

InChI=1/C24H23NO3/c1-18-10-6-7-13-20(18)17-25(16-19-11-4-3-5-12-19)23(26)21-14-8-9-15-22(21)24(27)28-2/h3-15H,16-17H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.012 kcal/mol

Physical Properties
Molecular Weight: 373.452 g/mol	logS: -5.81647	SlogP: 5.15702	Reactive groups: 0

Topological Properties
Globularity: 0.247103	Sterimol/B1: 2.97001	Sterimol/B2: 3.31768	Sterimol/B3: 6.71043
Sterimol/B4: 8.42183	Sterimol/L: 15.1222

Surface and Volume Properties
Accessible surface: 607.959	Positive charged surface: 380.297	Negative charged surface: 227.662	Volume: 373.875
Hydrophobic surface: 567.894	Hydrophilic surface: 40.065

Pharmacophoric Properties
Hydrogen bond donors: 0	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.