MMsINC Database Search


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MMsINC code: MMs00885103

Type: Neutral
Formula: C₂₃H₁₉NO₃

SMILES:

O(Cc1ccccc1)c1ccc(cc1)CN1c2c(cc(cc2)C)C(=O)C1=O

InChI:

InChI=1/C23H19NO3/c1-16-7-12-21-20(13-16)22(25)23(26)24(21)14-17-8-10-19(11-9-17)27-15-18-5-3-2-4-6-18/h2-13H,14-15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.362 kcal/mol

Physical Properties
Molecular Weight: 357.409 g/mol	logS: -5.99483	SlogP: 4.83632	Reactive groups: 0

Topological Properties
Globularity: 0.0729158	Sterimol/B1: 2.25863	Sterimol/B2: 3.58975	Sterimol/B3: 4.65245
Sterimol/B4: 8.29563	Sterimol/L: 18.5144

Surface and Volume Properties
Accessible surface: 639.935	Positive charged surface: 353.134	Negative charged surface: 286.801	Volume: 350.5
Hydrophobic surface: 533.303	Hydrophilic surface: 106.632

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.