MMsINC Database Search


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MMsINC code: MMs01367826

Type: Neutral
Formula: C₂₃H₂₁NO₃

SMILES:

O(C(=O)C(c1ccccc1)c1ccccc1)CC(=O)N(C)c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=131.11 kcal/mol

Physical Properties
Molecular Weight: 359.425 g/mol	logS: -5.36098	SlogP: 4.0247	Reactive groups: 0

Topological Properties
Globularity: 0.0951572	Sterimol/B1: 2.06238	Sterimol/B2: 3.4159	Sterimol/B3: 4.82836
Sterimol/B4: 8.7641	Sterimol/L: 18.0752

Surface and Volume Properties
Accessible surface: 654.601	Positive charged surface: 386.043	Negative charged surface: 268.558	Volume: 361.125
Hydrophobic surface: 600.039	Hydrophilic surface: 54.562

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.