MMsINC Database Search


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MMsINC code: MMs02996748

Type: Tautomer
Formula: C₂₄H₁₆O₂

SMILES:

O=C1c2c(cccc2)C(=O)C1Cc1c2c(cc3c1cccc3)cccc2

InChI:

InChI=1/C24H16O2/c25-23-19-11-5-6-12-20(19)24(26)22(23)14-21-17-9-3-1-7-15(17)13-16-8-2-4-10-18(16)21/h1-13,22H,14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.461 kcal/mol

Physical Properties
Molecular Weight: 336.39 g/mol	logS: -7.48515	SlogP: 5.23087	Reactive groups: 0

Topological Properties
Globularity: 0.051807	Sterimol/B1: 2.56334	Sterimol/B2: 2.87991	Sterimol/B3: 3.4574
Sterimol/B4: 9.5188	Sterimol/L: 15.2296

Surface and Volume Properties
Accessible surface: 555.695	Positive charged surface: 275.636	Negative charged surface: 262.642	Volume: 325.25
Hydrophobic surface: 497.288	Hydrophilic surface: 58.407

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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: 1	Oprea's lead like rule: 0

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Parent related molecule:

MMs02996747
PUBCHEM-ZINC03122158