MMsINC Database Search


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MMsINC code: MMs02599713

Type: Neutral
Formula: C₂₃H₂₀N₂O

SMILES:

O1c2c(cccc2)/C(=N/c2ccc(N(C)C)cc2)/C=C1c1ccccc1

InChI:

InChI=1/C23H20N2O/c1-25(2)19-14-12-18(13-15-19)24-21-16-23(17-8-4-3-5-9-17)26-22-11-7-6-10-20(21)22/h3-16H,1-2H3/b24-21+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=133.534 kcal/mol

Physical Properties
Molecular Weight: 340.426 g/mol	logS: -6.39453	SlogP: 5.3069	Reactive groups: 0

Topological Properties
Globularity: 0.034747	Sterimol/B1: 2.46573	Sterimol/B2: 4.1409	Sterimol/B3: 5.23473
Sterimol/B4: 8.51919	Sterimol/L: 16.231

Surface and Volume Properties
Accessible surface: 608.122	Positive charged surface: 393.392	Negative charged surface: 214.731	Volume: 345.25
Hydrophobic surface: 597.017	Hydrophilic surface: 11.105

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.