MMsINC Database Search


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MMsINC code: MMs02993870

Type: Neutral
Formula: C₂₃H₁₅NO₃

SMILES:

OC(=O)c1ccccc1-c1ccccc1C(=O)c1nc2c(cc1)cccc2

InChI:

InChI=1/C23H15NO3/c25-22(21-14-13-15-7-1-6-12-20(15)24-21)18-10-4-2-8-16(18)17-9-3-5-11-19(17)23(26)27/h1-14H,(H,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=142.977 kcal/mol

Physical Properties
Molecular Weight: 353.377 g/mol	logS: -6.59493	SlogP: 4.831	Reactive groups: 0

Topological Properties
Globularity: 0.0898144	Sterimol/B1: 3.59445	Sterimol/B2: 4.29253	Sterimol/B3: 4.85132
Sterimol/B4: 6.55	Sterimol/L: 15.7736

Surface and Volume Properties
Accessible surface: 573.864	Positive charged surface: 312.344	Negative charged surface: 256.023	Volume: 331.75
Hydrophobic surface: 479.223	Hydrophilic surface: 94.641

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs02993871
PUBCHEM-ZINC03101769