MMsINC Database Search


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MMsINC code: MMs03291293

Type: Neutral
Formula: C₂₃H₂₀N₂O₃

SMILES:

O=C1N(CCCC(=O)Nc2ccccc2C)C(=O)c2c3c1cccc3ccc2

InChI:

InChI=1/C23H20N2O3/c1-15-7-2-3-12-19(15)24-20(26)13-6-14-25-22(27)17-10-4-8-16-9-5-11-18(21(16)17)23(25)28/h2-5,7-12H,6,13-14H2,1H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.711 kcal/mol

Physical Properties
Molecular Weight: 372.424 g/mol	logS: -6.0532	SlogP: 4.16312	Reactive groups: 0

Topological Properties
Globularity: 0.0683499	Sterimol/B1: 2.87792	Sterimol/B2: 3.44434	Sterimol/B3: 4.7195
Sterimol/B4: 6.20253	Sterimol/L: 18.7856

Surface and Volume Properties
Accessible surface: 639.095	Positive charged surface: 370.197	Negative charged surface: 257.967	Volume: 356.25
Hydrophobic surface: 548.641	Hydrophilic surface: 90.454

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.