MMsINC Database Search


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MMsINC code: MMs02392582

Type: Neutral
Formula: C₁₅H₁₂O

SMILES:

O=C1Cc2c(-c3c(C1)cccc3)cccc2

InChI:

InChI=1/C15H12O/c16-13-9-11-5-1-3-7-14(11)15-8-4-2-6-12(15)10-13/h1-8H,9-10H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.8927 kcal/mol

Physical Properties
Molecular Weight: 208.26 g/mol	logS: -4.36151	SlogP: 3.02124	Reactive groups: 0

Topological Properties
Globularity: 0.134744	Sterimol/B1: 3.18459	Sterimol/B2: 3.40546	Sterimol/B3: 3.44719
Sterimol/B4: 5.93884	Sterimol/L: 12.1491

Surface and Volume Properties
Accessible surface: 408.631	Positive charged surface: 232.53	Negative charged surface: 173.303	Volume: 210.875
Hydrophobic surface: 366.376	Hydrophilic surface: 42.255

Pharmacophoric Properties
Hydrogen bond donors: 0	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.