MMsINC Database Search


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MMsINC code: MMs00196665

Type: Neutral
Formula: C₂₄H₂₀N₂O₂

SMILES:

O(C)c1ccc(NC(=O)c2cc(nc3c2cccc3)-c2ccc(cc2)C)cc1

InChI:

InChI=1/C24H20N2O2/c1-16-7-9-17(10-8-16)23-15-21(20-5-3-4-6-22(20)26-23)24(27)25-18-11-13-19(28-2)14-12-18/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)=128.564 kcal/mol

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

Topological Properties
Globularity: 0.0138502	Sterimol/B1: 2.40486	Sterimol/B2: 2.73565	Sterimol/B3: 3.23512
Sterimol/B4: 11.0131	Sterimol/L: 19.4044

Surface and Volume Properties
Accessible surface: 646.927	Positive charged surface: 382.604	Negative charged surface: 254.725	Volume: 364.25
Hydrophobic surface: 590.372	Hydrophilic surface: 56.555

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.