MMsINC Database Search


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MMsINC code: MMs00285773

Type: Neutral
Formula: C₂₄H₂₀N₂O₂

SMILES:

O(C)c1ccc(NC(=O)c2cc(nc3c2cc(cc3)C)-c2ccccc2)cc1

InChI:

InChI=1/C24H20N2O2/c1-16-8-13-22-20(14-16)21(15-23(26-22)17-6-4-3-5-7-17)24(27)25-18-9-11-19(28-2)12-10-18/h3-15H,1-2H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=127.235 kcal/mol

Physical Properties
Molecular Weight: 368.436 g/mol	logS: -6.86289	SlogP: 5.47112	Reactive groups: 0

Topological Properties
Globularity: 0.0129767	Sterimol/B1: 2.17219	Sterimol/B2: 2.59535	Sterimol/B3: 3.14669
Sterimol/B4: 12.3827	Sterimol/L: 18.3812

Surface and Volume Properties
Accessible surface: 659.279	Positive charged surface: 385.765	Negative charged surface: 262.611	Volume: 363.5
Hydrophobic surface: 600.926	Hydrophilic surface: 58.353

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.