MMsINC Database Search


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MMsINC code: MMs02735986

Type: Neutral
Formula: C₂₃H₁₈N₂O₃

SMILES:

O(C)c1cc(ccc1)C(Oc1n(nc(c1)-c1ccccc1)-c1ccccc1)=O

InChI:

InChI=1/C23H18N2O3/c1-27-20-14-8-11-18(15-20)23(26)28-22-16-21(17-9-4-2-5-10-17)24-25(22)19-12-6-3-7-13-19/h2-16H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=138.627 kcal/mol

Physical Properties
Molecular Weight: 370.408 g/mol	logS: -6.40967	SlogP: 4.7671	Reactive groups: 0

Topological Properties
Globularity: 0.016731	Sterimol/B1: 2.70444	Sterimol/B2: 3.13307	Sterimol/B3: 4.02615
Sterimol/B4: 10.396	Sterimol/L: 17.8884

Surface and Volume Properties
Accessible surface: 648.255	Positive charged surface: 362.323	Negative charged surface: 285.932	Volume: 359.375
Hydrophobic surface: 596.38	Hydrophilic surface: 51.875

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

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Ions/Tautomers related molecules: no related molecules available.