MMsINC Database Search


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MMsINC code: MMs00233248

Type: Neutral
Formula: C₂₃H₂₂N₂O₂

SMILES:

O=C(N(Cc1ccccc1)Cc1ccccc1)c1ccccc1NC(=O)C

InChI:

InChI=1/C23H22N2O2/c1-18(26)24-22-15-9-8-14-21(22)23(27)25(16-19-10-4-2-5-11-19)17-20-12-6-3-7-13-20/h2-15H,16-17H2,1H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.247 kcal/mol

Physical Properties
Molecular Weight: 358.441 g/mol	logS: -5.17027	SlogP: 5.0204	Reactive groups: 0

Topological Properties
Globularity: 0.269971	Sterimol/B1: 1.969	Sterimol/B2: 2.52151	Sterimol/B3: 8.37242
Sterimol/B4: 8.75591	Sterimol/L: 14.4565

Surface and Volume Properties
Accessible surface: 609.014	Positive charged surface: 347.733	Negative charged surface: 261.281	Volume: 362.5
Hydrophobic surface: 544.262	Hydrophilic surface: 64.752

Pharmacophoric Properties
Hydrogen bond donors: 1	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.