MMsINC Database Search


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MMsINC code: MMs02812180

Type: Neutral
Formula: C₁₇H₁₄O

SMILES:

Oc1c2c(ccc1Cc1ccccc1)cccc2

InChI:

InChI=1/C17H14O/c18-17-15(12-13-6-2-1-3-7-13)11-10-14-8-4-5-9-16(14)17/h1-11,18H,12H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.5268 kcal/mol

Physical Properties
Molecular Weight: 234.298 g/mol	logS: -4.70374	SlogP: 4.13617	Reactive groups: 0

Topological Properties
Globularity: 0.130592	Sterimol/B1: 2.25751	Sterimol/B2: 3.53797	Sterimol/B3: 4.95586
Sterimol/B4: 5.25747	Sterimol/L: 13.4427

Surface and Volume Properties
Accessible surface: 459.416	Positive charged surface: 256.27	Negative charged surface: 192.576	Volume: 242.75
Hydrophobic surface: 431.379	Hydrophilic surface: 28.037

Pharmacophoric Properties
Hydrogen bond donors: 1	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

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Ions/Tautomers related molecules: no related molecules available.