MMsINC Database Search


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MMsINC code: MMs03643606

Type: Neutral
Formula: C₂₃H₁₈N₂O₂

SMILES:

O(Cc1ccccc1)c1cccnc1NC(=O)c1cc2c(cc1)cccc2

InChI:

InChI=1/C23H18N2O2/c26-23(20-13-12-18-9-4-5-10-19(18)15-20)25-22-21(11-6-14-24-22)27-16-17-7-2-1-3-8-17/h1-15H,16H2,(H,24,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.111 kcal/mol

Physical Properties
Molecular Weight: 354.409 g/mol	logS: -6.10415	SlogP: 5.3325	Reactive groups: 0

Topological Properties
Globularity: 0.0322973	Sterimol/B1: 2.55733	Sterimol/B2: 3.61705	Sterimol/B3: 3.61995
Sterimol/B4: 11.013	Sterimol/L: 16.2068

Surface and Volume Properties
Accessible surface: 639.629	Positive charged surface: 364.932	Negative charged surface: 265.022	Volume: 347.625
Hydrophobic surface: 583.263	Hydrophilic surface: 56.366

Pharmacophoric Properties
Hydrogen bond donors: 1	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.