MMsINC Database Search


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MMsINC code: MMs02181189

Type: Neutral
Formula: C₁₇H₁₅NO

SMILES:

O=C(n1c2c(cccc2)c(C)c1C)c1ccccc1

InChI:

InChI=1/C17H15NO/c1-12-13(2)18(16-11-7-6-10-15(12)16)17(19)14-8-4-3-5-9-14/h3-11H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.4225 kcal/mol

Physical Properties
Molecular Weight: 249.313 g/mol	logS: -4.19786	SlogP: 3.94664	Reactive groups: 0

Topological Properties
Globularity: 0.157778	Sterimol/B1: 2.65289	Sterimol/B2: 3.79453	Sterimol/B3: 4.80314
Sterimol/B4: 7.84661	Sterimol/L: 12.7643

Surface and Volume Properties
Accessible surface: 482.392	Positive charged surface: 254.128	Negative charged surface: 223.872	Volume: 258.625
Hydrophobic surface: 451.4	Hydrophilic surface: 30.992

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.