MMsINC Database Search


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MMsINC code: MMs00183181

Type: Neutral
Formula: C₂₃H₂₀N₂O₂

SMILES:

o1c2c(nc1-c1cc(NC(=O)c3cc(ccc3)C)ccc1)cc(cc2C)C

InChI:

InChI=1/C23H20N2O2/c1-14-6-4-7-17(11-14)22(26)24-19-9-5-8-18(13-19)23-25-20-12-15(2)10-16(3)21(20)27-23/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)=94.8335 kcal/mol

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

Topological Properties
Globularity: 0.0163857	Sterimol/B1: 2.48272	Sterimol/B2: 2.56485	Sterimol/B3: 3.80873
Sterimol/B4: 9.87522	Sterimol/L: 18.2562

Surface and Volume Properties
Accessible surface: 666.49	Positive charged surface: 391.397	Negative charged surface: 275.093	Volume: 353.5
Hydrophobic surface: 593.14	Hydrophilic surface: 73.35

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.