MMsINC Database Search


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MMsINC code: MMs02254789

Type: Neutral
Formula: C₁₉H₁₆O₂

SMILES:

OC(=O)c1ccc2c(cccc2)c1Cc1ccc(cc1)C

InChI:

InChI=1/C19H16O2/c1-13-6-8-14(9-7-13)12-18-16-5-3-2-4-15(16)10-11-17(18)19(20)21/h2-11H,12H2,1H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.617 kcal/mol

Physical Properties
Molecular Weight: 276.335 g/mol	logS: -5.82246	SlogP: 4.43719	Reactive groups: 0

Topological Properties
Globularity: 0.145743	Sterimol/B1: 2.31136	Sterimol/B2: 4.2985	Sterimol/B3: 5.04755
Sterimol/B4: 7.31879	Sterimol/L: 13.1494

Surface and Volume Properties
Accessible surface: 498.409	Positive charged surface: 278.852	Negative charged surface: 209.603	Volume: 276
Hydrophobic surface: 427.279	Hydrophilic surface: 71.13

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs02254790
NCID-ZINC01601927