MMsINC Database Search


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MMsINC code: MMs02766683

Type: Neutral
Formula: C₁₉H₂₄O

SMILES:

Oc1cc(C(C)c2ccccc2)c(cc1C(C)(C)C)C

InChI:

InChI=1/C19H24O/c1-13-11-17(19(3,4)5)18(20)12-16(13)14(2)15-9-7-6-8-10-15/h6-12,14,20H,1-5H3/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.913 kcal/mol

Physical Properties
Molecular Weight: 268.4 g/mol	logS: -5.83458	SlogP: 5.14992	Reactive groups: 0

Topological Properties
Globularity: 0.174706	Sterimol/B1: 2.17065	Sterimol/B2: 3.52561	Sterimol/B3: 4.89143
Sterimol/B4: 7.56176	Sterimol/L: 13.4574

Surface and Volume Properties
Accessible surface: 522.44	Positive charged surface: 326.769	Negative charged surface: 195.67	Volume: 295
Hydrophobic surface: 420.005	Hydrophilic surface: 102.435

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.