MMsINC Database Search


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MMsINC code: MMs02300858

Type: Neutral
Formula: C₁₉H₂₄O

SMILES:

Oc1ccc(cc1)C(C(CC)c1ccc(cc1)C)CC

InChI:

InChI=1/C19H24O/c1-4-18(15-8-6-14(3)7-9-15)19(5-2)16-10-12-17(20)13-11-16/h6-13,18-20H,4-5H2,1-3H3/t18-,19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.312 kcal/mol

Physical Properties
Molecular Weight: 268.4 g/mol	logS: -6.04903	SlogP: 5.38802	Reactive groups: 0

Topological Properties
Globularity: 0.239021	Sterimol/B1: 2.53375	Sterimol/B2: 2.94737	Sterimol/B3: 4.81123
Sterimol/B4: 9.83927	Sterimol/L: 13.1094

Surface and Volume Properties
Accessible surface: 530.083	Positive charged surface: 359.121	Negative charged surface: 170.962	Volume: 298.75
Hydrophobic surface: 436.104	Hydrophilic surface: 93.979

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.