MMsINC Database Search


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MMsINC code: MMs00650062

Type: Neutral
Formula: C₂₃H₂₀N₂O₂

SMILES:

o1c2cc(C)c(cc2nc1-c1cc(NC(=O)Cc2ccccc2)ccc1)C

InChI:

InChI=1/C23H20N2O2/c1-15-11-20-21(12-16(15)2)27-23(25-20)18-9-6-10-19(14-18)24-22(26)13-17-7-4-3-5-8-17/h3-12,14H,13H2,1-2H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.218 kcal/mol

Physical Properties
Molecular Weight: 356.425 g/mol	logS: -7.67985	SlogP: 5.29281	Reactive groups: 0

Topological Properties
Globularity: 0.0352107	Sterimol/B1: 3.05351	Sterimol/B2: 3.29035	Sterimol/B3: 4.3299
Sterimol/B4: 10.0602	Sterimol/L: 16.7293

Surface and Volume Properties
Accessible surface: 658.624	Positive charged surface: 389.757	Negative charged surface: 268.867	Volume: 353
Hydrophobic surface: 583.861	Hydrophilic surface: 74.763

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.