MMsINC Database Search


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MMsINC code: MMs00667637

Type: Neutral
Formula: C₂₃H₁₇NO

SMILES:

O=C(Nc1cc2c(cc1)cccc2)c1ccccc1-c1ccccc1

InChI:

InChI=1/C23H17NO/c25-23(24-20-15-14-17-8-4-5-11-19(17)16-20)22-13-7-6-12-21(22)18-9-2-1-3-10-18/h1-16H,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.23 kcal/mol

Physical Properties
Molecular Weight: 323.395 g/mol	logS: -7.65913	SlogP: 5.7591	Reactive groups: 0

Topological Properties
Globularity: 0.0540588	Sterimol/B1: 2.55568	Sterimol/B2: 3.16708	Sterimol/B3: 3.85637
Sterimol/B4: 9.52598	Sterimol/L: 15.7731

Surface and Volume Properties
Accessible surface: 581.76	Positive charged surface: 316.045	Negative charged surface: 253.168	Volume: 326.375
Hydrophobic surface: 566.748	Hydrophilic surface: 15.012

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.