MMsINC Database Search


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MMsINC code: MMs02380144

Type: Neutral
Formula: C₁₅H₁₄O

SMILES:

Oc1ccc(cc1)C1CCc2c1cccc2

InChI:

InChI=1/C15H14O/c16-13-8-5-12(6-9-13)15-10-7-11-3-1-2-4-14(11)15/h1-6,8-9,15-16H,7,10H2/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.9087 kcal/mol

Physical Properties
Molecular Weight: 210.276 g/mol	logS: -4.02641	SlogP: 3.47027	Reactive groups: 0

Topological Properties
Globularity: 0.224218	Sterimol/B1: 3.10734	Sterimol/B2: 3.42148	Sterimol/B3: 4.65781
Sterimol/B4: 5.35169	Sterimol/L: 12.5059

Surface and Volume Properties
Accessible surface: 430.02	Positive charged surface: 258.873	Negative charged surface: 171.147	Volume: 217.625
Hydrophobic surface: 377.515	Hydrophilic surface: 52.505

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.