MMsINC Database Search


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MMsINC code: MMs00537653

Type: Neutral
Formula: C₂₃H₁₈N₂O₂

SMILES:

O=C(C(=O)NC(c1ccccc1)c1ccccc1)c1c2c([nH]c1)cccc2

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.6515 kcal/mol

Physical Properties
Molecular Weight: 354.409 g/mol	logS: -5.68806	SlogP: 4.3519	Reactive groups: 0

Topological Properties
Globularity: 0.107419	Sterimol/B1: 2.23446	Sterimol/B2: 3.67654	Sterimol/B3: 4.93514
Sterimol/B4: 8.88881	Sterimol/L: 16.8964

Surface and Volume Properties
Accessible surface: 627.631	Positive charged surface: 319.822	Negative charged surface: 301.676	Volume: 347.5
Hydrophobic surface: 525.311	Hydrophilic surface: 102.32

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.