MMsINC Database Search


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MMsINC code: MMs00151031

Type: Neutral
Formula: C₂₄H₂₀N₂O₂

SMILES:

O(C)c1ccc(cc1)-c1nc2c(cccc2)c(c1)C(=O)NCc1ccccc1

InChI:

InChI=1/C24H20N2O2/c1-28-19-13-11-18(12-14-19)23-15-21(20-9-5-6-10-22(20)26-23)24(27)25-16-17-7-3-2-4-8-17/h2-15H,16H2,1H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.234 kcal/mol

Physical Properties
Molecular Weight: 368.436 g/mol	logS: -6.33301	SlogP: 5.1068	Reactive groups: 0

Topological Properties
Globularity: 0.0454762	Sterimol/B1: 2.40376	Sterimol/B2: 3.60862	Sterimol/B3: 3.7683
Sterimol/B4: 13.5756	Sterimol/L: 14.8012

Surface and Volume Properties
Accessible surface: 671.193	Positive charged surface: 395.229	Negative charged surface: 263.461	Volume: 364.375
Hydrophobic surface: 602.281	Hydrophilic surface: 68.912

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.