MMsINC Database Search


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MMsINC code: MMs02199451

Type: Neutral
Formula: C₂₃H₁₈N₂O₃

SMILES:

O(C)c1c2c(cccc2)c(cc1)\C=N\NC(=O)c1cc2c(cc1O)cccc2

InChI:

InChI=1/C23H18N2O3/c1-28-22-11-10-17(18-8-4-5-9-19(18)22)14-24-25-23(27)20-12-15-6-2-3-7-16(15)13-21(20)26/h2-14,26H,1H3,(H,25,27)/b24-14+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=152.129 kcal/mol

Physical Properties
Molecular Weight: 370.408 g/mol	logS: -6.98234	SlogP: 4.4711	Reactive groups: 0

Topological Properties
Globularity: 0.00194251	Sterimol/B1: 2.3639	Sterimol/B2: 2.38609	Sterimol/B3: 3.02132
Sterimol/B4: 7.08711	Sterimol/L: 20.6128

Surface and Volume Properties
Accessible surface: 648.068	Positive charged surface: 384.644	Negative charged surface: 239.592	Volume: 352.625
Hydrophobic surface: 538.618	Hydrophilic surface: 109.45

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: no related molecules available.