MMsINC Database Search


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MMsINC code: MMs01775738

Type: Neutral
Formula: C₂₄H₁₇NO₂

SMILES:

o1c2c(nc1/C(=C/C=C/c1ccccc1)/C(=O)c1ccccc1)cccc2

InChI:

InChI=1/C24H17NO2/c26-23(19-13-5-2-6-14-19)20(15-9-12-18-10-3-1-4-11-18)24-25-21-16-7-8-17-22(21)27-24/h1-17H/b12-9+,20-15+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.829 kcal/mol

Physical Properties
Molecular Weight: 351.405 g/mol	logS: -7.33555	SlogP: 5.8075	Reactive groups: 1

Topological Properties
Globularity: 0.0409553	Sterimol/B1: 3.61207	Sterimol/B2: 4.03692	Sterimol/B3: 4.92142
Sterimol/B4: 7.57668	Sterimol/L: 18.3134

Surface and Volume Properties
Accessible surface: 644	Positive charged surface: 328.05	Negative charged surface: 315.951	Volume: 349.375
Hydrophobic surface: 589.148	Hydrophilic surface: 54.852

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.