MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02997527

Type: Neutral
Formula: C₁₉H₂₀O

SMILES:

O=C(C)c1c2cc(c(c1)CCc1ccc(CC2)cc1)C

InChI:

InChI=1/C19H20O/c1-13-11-18-10-8-16-5-3-15(4-6-16)7-9-17(13)12-19(18)14(2)20/h3-6,11-12H,7-10H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=275.569 kcal/mol

Physical Properties
Molecular Weight: 264.368 g/mol	logS: -5.50817	SlogP: 4.0813	Reactive groups: 0

Topological Properties
Globularity: 0.303458	Sterimol/B1: 2.54601	Sterimol/B2: 3.42682	Sterimol/B3: 5.00262
Sterimol/B4: 5.57278	Sterimol/L: 10.2204

Surface and Volume Properties
Accessible surface: 433.879	Positive charged surface: 268.435	Negative charged surface: 165.444	Volume: 266.625
Hydrophobic surface: 408.101	Hydrophilic surface: 25.778

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.