MMsINC Database Search


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MMsINC code: MMs02746718

Type: Neutral
Formula: C₁₉H₁₆O

SMILES:

OC1c2c(CCc3c1cccc3)ccc1c2cccc1

InChI:

InChI=1/C19H16O/c20-19-17-8-4-2-6-14(17)10-12-15-11-9-13-5-1-3-7-16(13)18(15)19/h1-9,11,19-20H,10,12H2/t19-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.133 kcal/mol

Physical Properties
Molecular Weight: 260.336 g/mol	logS: -5.64748	SlogP: 4.11554	Reactive groups: 0

Topological Properties
Globularity: 0.0250063	Sterimol/B1: 2.90165	Sterimol/B2: 2.98851	Sterimol/B3: 3.42216
Sterimol/B4: 6.20063	Sterimol/L: 14.228

Surface and Volume Properties
Accessible surface: 470.474	Positive charged surface: 260.832	Negative charged surface: 199.428	Volume: 262.125
Hydrophobic surface: 443.876	Hydrophilic surface: 26.598

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.