MMsINC Database Search


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MMsINC code: MMs00165987

Type: Neutral
Formula: C₂₃H₂₀N₂O₂

SMILES:

o1c2c(nc1-c1cc(C)c(NC(=O)c3ccccc3C)cc1)cc(cc2)C

InChI:

InChI=1/C23H20N2O2/c1-14-8-11-21-20(12-14)25-23(27-21)17-9-10-19(16(3)13-17)24-22(26)18-7-5-4-6-15(18)2/h4-13H,1-3H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.495 kcal/mol

Physical Properties
Molecular Weight: 356.425 g/mol	logS: -7.77885	SlogP: 5.67236	Reactive groups: 0

Topological Properties
Globularity: 0.00910798	Sterimol/B1: 2.60012	Sterimol/B2: 2.73016	Sterimol/B3: 3.2822
Sterimol/B4: 6.56441	Sterimol/L: 21.0755

Surface and Volume Properties
Accessible surface: 649.736	Positive charged surface: 377.882	Negative charged surface: 271.855	Volume: 353.25
Hydrophobic surface: 588.375	Hydrophilic surface: 61.361

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.