MMsINC Database Search


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MMsINC code: MMs03198156

Type: Neutral
Formula: C₂₃H₁₉NO₂

SMILES:

O(C)c1ccc(cc1)C(=O)\C=C\c1cc2c3c(n(c2cc1)C)cccc3

InChI:

InChI=1/C23H19NO2/c1-24-21-6-4-3-5-19(21)20-15-16(7-13-22(20)24)8-14-23(25)17-9-11-18(26-2)12-10-17/h3-15H,1-2H3/b14-8+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.503 kcal/mol

Physical Properties
Molecular Weight: 341.41 g/mol	logS: -6.04448	SlogP: 5.5954	Reactive groups: 1

Topological Properties
Globularity: 0.00262161	Sterimol/B1: 2.00103	Sterimol/B2: 2.38378	Sterimol/B3: 2.51297
Sterimol/B4: 7.75738	Sterimol/L: 20.4569

Surface and Volume Properties
Accessible surface: 618.668	Positive charged surface: 359.138	Negative charged surface: 248.409	Volume: 342.75
Hydrophobic surface: 572.992	Hydrophilic surface: 45.676

Pharmacophoric Properties
Hydrogen bond donors: 0	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.