MMsINC Database Search


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MMsINC code: MMs02155154

Type: Neutral
Formula: C₂₃H₂₄N₂O₂

SMILES:

O(c1ncccc1NC(=O)c1ccc(cc1)C)c1ccc(cc1)C(C)(C)C

InChI:

InChI=1/C23H24N2O2/c1-16-7-9-17(10-8-16)21(26)25-20-6-5-15-24-22(20)27-19-13-11-18(12-14-19)23(2,3)4/h5-15H,1-4H3,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=126.636 kcal/mol

Physical Properties
Molecular Weight: 360.457 g/mol	logS: -6.6842	SlogP: 5.73212	Reactive groups: 0

Topological Properties
Globularity: 0.0383945	Sterimol/B1: 2.48395	Sterimol/B2: 3.61069	Sterimol/B3: 3.71554
Sterimol/B4: 9.43349	Sterimol/L: 19.1167

Surface and Volume Properties
Accessible surface: 665.264	Positive charged surface: 418.713	Negative charged surface: 246.551	Volume: 368.125
Hydrophobic surface: 573.739	Hydrophilic surface: 91.525

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.