MMsINC Database Search


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MMsINC code: MMs01765237

Type: Neutral
Formula: C₂₃H₂₂N₂O₂

SMILES:

O=C(Nc1ccc(NC(=O)c2cc(ccc2)C)cc1)c1ccc(cc1C)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=122.466 kcal/mol

Physical Properties
Molecular Weight: 358.441 g/mol	logS: -6.74662	SlogP: 5.11646	Reactive groups: 0

Topological Properties
Globularity: 0.0077942	Sterimol/B1: 2.15279	Sterimol/B2: 2.60861	Sterimol/B3: 3.22927
Sterimol/B4: 6.06538	Sterimol/L: 21.9621

Surface and Volume Properties
Accessible surface: 655.707	Positive charged surface: 380.076	Negative charged surface: 275.631	Volume: 360.625
Hydrophobic surface: 592.417	Hydrophilic surface: 63.29

Pharmacophoric Properties
Hydrogen bond donors: 2	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.