MMsINC Database Search


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MMsINC code: MMs02688742

Type: Neutral
Formula: C₁₇H₁₅NO₂

SMILES:

O(C(=O)c1n(c2c(c1)cccc2)Cc1ccccc1)C

InChI:

InChI=1/C17H15NO2/c1-20-17(19)16-11-14-9-5-6-10-15(14)18(16)12-13-7-3-2-4-8-13/h2-11H,12H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.4534 kcal/mol

Physical Properties
Molecular Weight: 265.312 g/mol	logS: -3.87134	SlogP: 3.7426	Reactive groups: 0

Topological Properties
Globularity: 0.122749	Sterimol/B1: 2.59372	Sterimol/B2: 3.24385	Sterimol/B3: 3.58113
Sterimol/B4: 8.47553	Sterimol/L: 12.6665

Surface and Volume Properties
Accessible surface: 480.355	Positive charged surface: 283.809	Negative charged surface: 191.133	Volume: 263.875
Hydrophobic surface: 430.31	Hydrophilic surface: 50.045

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.