MMsINC Database Search


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MMsINC code: MMs00455617

Type: Neutral
Formula: C₂₄H₂₀N₂O₂

SMILES:

OC1=C(c2ccccc2)C(=O)N(C(=C1CC)c1ccccc1)c1ncccc1

InChI:

InChI=1/C24H20N2O2/c1-2-19-22(18-13-7-4-8-14-18)26(20-15-9-10-16-25-20)24(28)21(23(19)27)17-11-5-3-6-12-17/h3-16,27H,2H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=126.825 kcal/mol

Physical Properties
Molecular Weight: 368.436 g/mol	logS: -5.51177	SlogP: 5.2188	Reactive groups: 0

Topological Properties
Globularity: 0.115939	Sterimol/B1: 2.03653	Sterimol/B2: 2.50136	Sterimol/B3: 5.1819
Sterimol/B4: 9.62783	Sterimol/L: 16.1838

Surface and Volume Properties
Accessible surface: 604.28	Positive charged surface: 375.477	Negative charged surface: 228.803	Volume: 360.875
Hydrophobic surface: 528.626	Hydrophilic surface: 75.654

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.