MMsINC Database Search


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MMsINC code: MMs03541010

Type: Neutral
Formula: C₁₇H₁₂O

SMILES:

OCc1c-2c(-c3c4c-2cccc4ccc3)ccc1

InChI:

InChI=1/C17H12O/c18-10-12-6-3-8-14-13-7-1-4-11-5-2-9-15(16(11)13)17(12)14/h1-9,18H,10H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=122 kcal/mol

Physical Properties
Molecular Weight: 232.282 g/mol	logS: -6.24104	SlogP: 4.2459	Reactive groups: 0

Topological Properties
Globularity: 0.00686822	Sterimol/B1: 2.37409	Sterimol/B2: 2.37607	Sterimol/B3: 3.3556
Sterimol/B4: 6.97674	Sterimol/L: 12.3331

Surface and Volume Properties
Accessible surface: 433.296	Positive charged surface: 226.207	Negative charged surface: 173.738	Volume: 234.625
Hydrophobic surface: 381.117	Hydrophilic surface: 52.179

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.