MMsINC Database Search


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MMsINC code: MMs01298822

Type: Neutral
Formula: C₁₉H₁₆O₂

SMILES:

O=C1c2c(cccc2)C(=O)C1=Cc1c(cc(cc1C)C)C

InChI:

InChI=1/C19H16O2/c1-11-8-12(2)16(13(3)9-11)10-17-18(20)14-6-4-5-7-15(14)19(17)21/h4-10H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.5613 kcal/mol

Physical Properties
Molecular Weight: 276.335 g/mol	logS: -5.84861	SlogP: 4.07446	Reactive groups: 1

Topological Properties
Globularity: 0.11203	Sterimol/B1: 2.4462	Sterimol/B2: 2.75932	Sterimol/B3: 4.96313
Sterimol/B4: 6.29406	Sterimol/L: 15.3655

Surface and Volume Properties
Accessible surface: 509.94	Positive charged surface: 293.691	Negative charged surface: 216.249	Volume: 278.5
Hydrophobic surface: 447.688	Hydrophilic surface: 62.252

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.