MMsINC Database Search


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MMsINC code: MMs02578831

Type: Neutral
Formula: C₂₄H₂₂N₂O₂

SMILES:

O1c2c(cc(OC)cc2)/C(=N/c2ccc(N(C)C)cc2)/C=C1c1ccccc1

InChI:

InChI=1/C24H22N2O2/c1-26(2)19-11-9-18(10-12-19)25-22-16-24(17-7-5-4-6-8-17)28-23-14-13-20(27-3)15-21(22)23/h4-16H,1-3H3/b25-22+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=141.136 kcal/mol

Physical Properties
Molecular Weight: 370.452 g/mol	logS: -6.44491	SlogP: 5.3155	Reactive groups: 0

Topological Properties
Globularity: 0.028868	Sterimol/B1: 2.52907	Sterimol/B2: 2.97547	Sterimol/B3: 4.1562
Sterimol/B4: 10.4117	Sterimol/L: 17.2136

Surface and Volume Properties
Accessible surface: 646.861	Positive charged surface: 447.485	Negative charged surface: 199.377	Volume: 370.125
Hydrophobic surface: 626.391	Hydrophilic surface: 20.47

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.