MMsINC Database Search


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MMsINC code: MMs00286702

Type: Neutral
Formula: C₂₄H₂₂N₂O₂

SMILES:

o1c2c(nc1-c1cc(NC(=O)c3ccc(cc3)C(C)(C)C)ccc1)cccc2

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.416 kcal/mol

Physical Properties
Molecular Weight: 370.452 g/mol	logS: -8.69012	SlogP: 6.0446	Reactive groups: 0

Topological Properties
Globularity: 0.0218029	Sterimol/B1: 2.5647	Sterimol/B2: 3.61115	Sterimol/B3: 4.17059
Sterimol/B4: 8.52541	Sterimol/L: 20.0127

Surface and Volume Properties
Accessible surface: 664.587	Positive charged surface: 386.685	Negative charged surface: 277.902	Volume: 370.875
Hydrophobic surface: 538.52	Hydrophilic surface: 126.067

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.