MMsINC Database Search


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MMsINC code: MMs02847411

Type: Neutral
Formula: C₁₈H₁₂O

SMILES:

Oc1c2c(c3c(c1)c1c(cc3)cccc1)cccc2

InChI:

InChI=1/C18H12O/c19-18-11-17-13-6-2-1-5-12(13)9-10-15(17)14-7-3-4-8-16(14)18/h1-11,19H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.4915 kcal/mol

Physical Properties
Molecular Weight: 244.293 g/mol	logS: -6.65657	SlogP: 4.8518	Reactive groups: 0

Topological Properties
Globularity: 0.00209333	Sterimol/B1: 2.13984	Sterimol/B2: 2.19041	Sterimol/B3: 4.53488
Sterimol/B4: 4.99842	Sterimol/L: 14.325

Surface and Volume Properties
Accessible surface: 452.357	Positive charged surface: 211.395	Negative charged surface: 207.748	Volume: 242.625
Hydrophobic surface: 407.205	Hydrophilic surface: 45.152

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.