MMsINC Database Search


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MMsINC code: MMs00509719

Type: Neutral
Formula: C₂₃H₂₀N₂O₂

SMILES:

O1c2c(CC1C)cc(cc2)C1Nc2c(cccc2)C(=O)N1c1ccccc1

InChI:

InChI=1/C23H20N2O2/c1-15-13-17-14-16(11-12-21(17)27-15)22-24-20-10-6-5-9-19(20)23(26)25(22)18-7-3-2-4-8-18/h2-12,14-15,22,24H,13H2,1H3/t15-,22+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.288 kcal/mol

Physical Properties
Molecular Weight: 356.425 g/mol	logS: -5.40427	SlogP: 4.87657	Reactive groups: 0

Topological Properties
Globularity: 0.160262	Sterimol/B1: 3.28755	Sterimol/B2: 3.56373	Sterimol/B3: 3.93105
Sterimol/B4: 9.47427	Sterimol/L: 13.9844

Surface and Volume Properties
Accessible surface: 595.49	Positive charged surface: 360.119	Negative charged surface: 235.371	Volume: 348.125
Hydrophobic surface: 510.652	Hydrophilic surface: 84.838

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.