MMsINC Database Search


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MMsINC code: MMs02178090

Type: Neutral
Formula: C₂₄H₁₇NO₃

SMILES:

O(C(=O)c1ccccc1)c1cc2c(cc(NC(=O)c3ccccc3)cc2)cc1

InChI:

InChI=1/C24H17NO3/c26-23(17-7-3-1-4-8-17)25-21-13-11-20-16-22(14-12-19(20)15-21)28-24(27)18-9-5-2-6-10-18/h1-16H,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=121.351 kcal/mol

Physical Properties
Molecular Weight: 367.404 g/mol	logS: -7.34681	SlogP: 5.3113	Reactive groups: 0

Topological Properties
Globularity: 0.0184384	Sterimol/B1: 3.24506	Sterimol/B2: 3.33789	Sterimol/B3: 3.60058
Sterimol/B4: 5.11708	Sterimol/L: 22.5288

Surface and Volume Properties
Accessible surface: 650.399	Positive charged surface: 336.236	Negative charged surface: 303.003	Volume: 353.875
Hydrophobic surface: 585.408	Hydrophilic surface: 64.991

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

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Ions/Tautomers related molecules: no related molecules available.