MMsINC Database Search


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MMsINC code: MMs02237970

Type: Neutral
Formula: C₂₃H₁₈N₂O₃

SMILES:

O(C)c1ccc(N2C(=O)c3c(cc4c([nH]c5c4cccc5)c3CC)C2=O)cc1

InChI:

InChI=1/C23H18N2O3/c1-3-15-20-18(12-17-16-6-4-5-7-19(16)24-21(15)17)22(26)25(23(20)27)13-8-10-14(28-2)11-9-13/h4-12,24H,3H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.6813 kcal/mol

Physical Properties
Molecular Weight: 370.408 g/mol	logS: -6.62124	SlogP: 4.69267	Reactive groups: 0

Topological Properties
Globularity: 0.0109079	Sterimol/B1: 2.05449	Sterimol/B2: 2.56234	Sterimol/B3: 3.44679
Sterimol/B4: 8.00481	Sterimol/L: 20.2249

Surface and Volume Properties
Accessible surface: 625.258	Positive charged surface: 363.441	Negative charged surface: 248.256	Volume: 348.25
Hydrophobic surface: 522.497	Hydrophilic surface: 102.761

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: 0	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.