MMsINC Database Search


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MMsINC code: MMs03068963

Type: Neutral
Formula: C₂₃H₁₅NO₂

SMILES:

OC(=O)c1c2n(cc1-c1c3c(cc4c1cccc4)cccc3)C=CC=C2

InChI:

InChI=1/C23H15NO2/c25-23(26)22-19(14-24-12-6-5-11-20(22)24)21-17-9-3-1-7-15(17)13-16-8-2-4-10-18(16)21/h1-14H,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.5762 kcal/mol

Physical Properties
Molecular Weight: 337.378 g/mol	logS: -6.92736	SlogP: 5.6572	Reactive groups: 0

Topological Properties
Globularity: 0.17025	Sterimol/B1: 2.44538	Sterimol/B2: 4.26614	Sterimol/B3: 5.1568
Sterimol/B4: 9.62453	Sterimol/L: 13.966

Surface and Volume Properties
Accessible surface: 570.529	Positive charged surface: 282.764	Negative charged surface: 270.358	Volume: 327.875
Hydrophobic surface: 487.428	Hydrophilic surface: 83.101

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 0

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Ions/Tautomers related molecules

MMs03068964
PUBCHEM-ZINC03748502