MMsINC Database Search


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MMsINC code: MMs01210789

Type: Neutral
Formula: C₂₄H₂₈N₂O₂

SMILES:

O(C)c1ccc(NC(=O)c2n(Cc3cc(ccc3)C)c(C)c(CC)c2C)cc1

InChI:

InChI=1/C24H28N2O2/c1-6-22-17(3)23(24(27)25-20-10-12-21(28-5)13-11-20)26(18(22)4)15-19-9-7-8-16(2)14-19/h7-14H,6,15H2,1-5H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.711 kcal/mol

Physical Properties
Molecular Weight: 376.5 g/mol	logS: -5.28677	SlogP: 5.55133	Reactive groups: 0

Topological Properties
Globularity: 0.0951893	Sterimol/B1: 2.66867	Sterimol/B2: 3.66379	Sterimol/B3: 5.45336
Sterimol/B4: 8.46103	Sterimol/L: 17.3088

Surface and Volume Properties
Accessible surface: 640.62	Positive charged surface: 419.745	Negative charged surface: 220.875	Volume: 392
Hydrophobic surface: 570.73	Hydrophilic surface: 69.89

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.