MMsINC Database Search


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MMsINC code: MMs01207604

Type: Neutral
Formula: C₂₄H₂₂N₂O₂

SMILES:

o1c2c(nc1-c1c(cc(cc1C)C)C)cc(NC(=O)c1ccccc1C)cc2

InChI:

InChI=1/C24H22N2O2/c1-14-11-16(3)22(17(4)12-14)24-26-20-13-18(9-10-21(20)28-24)25-23(27)19-8-6-5-7-15(19)2/h5-13H,1-4H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.924 kcal/mol

Physical Properties
Molecular Weight: 370.452 g/mol	logS: -8.56622	SlogP: 5.98078	Reactive groups: 0

Topological Properties
Globularity: 0.0473965	Sterimol/B1: 2.4529	Sterimol/B2: 2.92153	Sterimol/B3: 5.58165
Sterimol/B4: 7.79545	Sterimol/L: 20.6314

Surface and Volume Properties
Accessible surface: 661.721	Positive charged surface: 393.253	Negative charged surface: 268.468	Volume: 368.5
Hydrophobic surface: 613.905	Hydrophilic surface: 47.816

Pharmacophoric Properties
Hydrogen bond donors: 1	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.