MMsINC Database Search


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MMsINC code: MMs01178214

Type: Neutral
Formula: C₂₃H₂₁NO₃

SMILES:

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

InChI:

InChI=1/C23H21NO3/c1-27-23(26)21-15-9-8-14-20(21)22(25)24(16-18-10-4-2-5-11-18)17-19-12-6-3-7-13-19/h2-15H,16-17H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.8914 kcal/mol

Physical Properties
Molecular Weight: 359.425 g/mol	logS: -5.34255	SlogP: 4.8486	Reactive groups: 0

Topological Properties
Globularity: 0.260299	Sterimol/B1: 2.2766	Sterimol/B2: 3.79075	Sterimol/B3: 7.71482
Sterimol/B4: 7.79003	Sterimol/L: 15.0459

Surface and Volume Properties
Accessible surface: 607.285	Positive charged surface: 371.086	Negative charged surface: 236.199	Volume: 359.625
Hydrophobic surface: 561.745	Hydrophilic surface: 45.54

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.