MMsINC Database Search


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MMsINC code: MMs00283410

Type: Neutral
Formula: C₁₅H₁₆O

SMILES:

O(c1c(cccc1C)C)c1ccc(cc1)C

InChI:

InChI=1/C15H16O/c1-11-7-9-14(10-8-11)16-15-12(2)5-4-6-13(15)3/h4-10H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.1595 kcal/mol

Physical Properties
Molecular Weight: 212.292 g/mol	logS: -3.96245	SlogP: 4.40416	Reactive groups: 0

Topological Properties
Globularity: 0.169898	Sterimol/B1: 2.69801	Sterimol/B2: 4.74939	Sterimol/B3: 4.75267
Sterimol/B4: 5.18543	Sterimol/L: 12.9481

Surface and Volume Properties
Accessible surface: 447.799	Positive charged surface: 269.657	Negative charged surface: 178.142	Volume: 230.625
Hydrophobic surface: 447.799	Hydrophilic surface: 0

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	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.