MMsINC Database Search


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MMsINC code: MMs00632627

Type: Neutral
Formula: C₂₃H₂₀N₂O

SMILES:

O=C1N(C(=Nc2c1cccc2)c1ccc(cc1)C)c1cc(C)c(cc1)C

InChI:

InChI=1/C23H20N2O/c1-15-8-11-18(12-9-15)22-24-21-7-5-4-6-20(21)23(26)25(22)19-13-10-16(2)17(3)14-19/h4-14H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=125.377 kcal/mol

Physical Properties
Molecular Weight: 340.426 g/mol	logS: -7.09898	SlogP: 5.35056	Reactive groups: 0

Topological Properties
Globularity: 0.103953	Sterimol/B1: 2.52752	Sterimol/B2: 3.20118	Sterimol/B3: 4.67275
Sterimol/B4: 9.40283	Sterimol/L: 14.5992

Surface and Volume Properties
Accessible surface: 593.55	Positive charged surface: 354.333	Negative charged surface: 239.217	Volume: 342.875
Hydrophobic surface: 553.439	Hydrophilic surface: 40.111

Pharmacophoric Properties
Hydrogen bond donors: 0	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.