MMsINC Database Search


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MMsINC code: MMs00787202

Type: Neutral
Formula: C₂₃H₁₇NO₃

SMILES:

o1c2c(nc1/C(=C\c1ccccc1OC)/C(=O)c1ccccc1)cccc2

InChI:

InChI=1/C23H17NO3/c1-26-20-13-7-5-11-17(20)15-18(22(25)16-9-3-2-4-10-16)23-24-19-12-6-8-14-21(19)27-23/h2-15H,1H3/b18-15-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.898 kcal/mol

Physical Properties
Molecular Weight: 355.393 g/mol	logS: -6.25321	SlogP: 5.2599	Reactive groups: 1

Topological Properties
Globularity: 0.188824	Sterimol/B1: 2.41807	Sterimol/B2: 2.96584	Sterimol/B3: 5.64859
Sterimol/B4: 11.5234	Sterimol/L: 14.6489

Surface and Volume Properties
Accessible surface: 616.519	Positive charged surface: 359.741	Negative charged surface: 256.779	Volume: 346.375
Hydrophobic surface: 561.456	Hydrophilic surface: 55.063

Pharmacophoric Properties
Hydrogen bond donors: 0	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.