MMsINC Database Search


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MMsINC code: MMs00757216

Type: Neutral
Formula: C₂₃H₂₀N₂O₂

SMILES:

O(C)c1cc(ccc1)C1N(C(=O)C(Nc2ccccc2)=C1)c1ccccc1

InChI:

InChI=1/C23H20N2O2/c1-27-20-14-8-9-17(15-20)22-16-21(24-18-10-4-2-5-11-18)23(26)25(22)19-12-6-3-7-13-19/h2-16,22,24H,1H3/t22-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.419 kcal/mol

Physical Properties
Molecular Weight: 356.425 g/mol	logS: -5.61027	SlogP: 4.8746	Reactive groups: 0

Topological Properties
Globularity: 0.153568	Sterimol/B1: 2.31083	Sterimol/B2: 3.98919	Sterimol/B3: 4.33244
Sterimol/B4: 9.93785	Sterimol/L: 16.3296

Surface and Volume Properties
Accessible surface: 614.099	Positive charged surface: 380.075	Negative charged surface: 234.024	Volume: 355.25
Hydrophobic surface: 549.159	Hydrophilic surface: 64.94

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.