MMsINC Database Search


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MMsINC code: MMs00536201

Type: Neutral
Formula: C₂₃H₂₂N₂O₂

SMILES:

O=C(N(CC)c1ccccc1)c1ccc(NC(=O)c2cc(ccc2)C)cc1

InChI:

InChI=1/C23H22N2O2/c1-3-25(21-10-5-4-6-11-21)23(27)18-12-14-20(15-13-18)24-22(26)19-9-7-8-17(2)16-19/h4-16H,3H2,1-2H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=176.257 kcal/mol

Physical Properties
Molecular Weight: 358.441 g/mol	logS: -6.02	SlogP: 4.91402	Reactive groups: 0

Topological Properties
Globularity: 0.027971	Sterimol/B1: 2.35613	Sterimol/B2: 3.26818	Sterimol/B3: 3.30366
Sterimol/B4: 6.38274	Sterimol/L: 20.982

Surface and Volume Properties
Accessible surface: 642.599	Positive charged surface: 366.055	Negative charged surface: 276.544	Volume: 357.375
Hydrophobic surface: 560.428	Hydrophilic surface: 82.171

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.