MMsINC Database Search


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MMsINC code: MMs02876415

Type: Neutral
Formula: C₁₈H₁₄O

SMILES:

OC(C)c1c2c3c4c(cc2)cccc4ccc3cc1

InChI:

InChI=1/C18H14O/c1-11(19)15-9-7-14-6-5-12-3-2-4-13-8-10-16(15)18(14)17(12)13/h2-11,19H,1H3/t11-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.778 kcal/mol

Physical Properties
Molecular Weight: 246.309 g/mol	logS: -6.56825	SlogP: 4.7328	Reactive groups: 0

Topological Properties
Globularity: 0.0333771	Sterimol/B1: 2.11029	Sterimol/B2: 3.76577	Sterimol/B3: 3.87156
Sterimol/B4: 6.32513	Sterimol/L: 12.842

Surface and Volume Properties
Accessible surface: 446.299	Positive charged surface: 231.838	Negative charged surface: 184.304	Volume: 249.125
Hydrophobic surface: 382.033	Hydrophilic surface: 64.266

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.