MMsINC Database Search


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MMsINC code: MMs00592349

Type: Neutral
Formula: C₁₈H₁₆O₂

SMILES:

O1c2c(cc(cc2C)C)C(=O)C=C1c1ccc(cc1)C

InChI:

InChI=1/C18H16O2/c1-11-4-6-14(7-5-11)17-10-16(19)15-9-12(2)8-13(3)18(15)20-17/h4-10H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.5768 kcal/mol

Physical Properties
Molecular Weight: 264.324 g/mol	logS: -5.6568	SlogP: 4.22806	Reactive groups: 1

Topological Properties
Globularity: 0.00844973	Sterimol/B1: 2.51203	Sterimol/B2: 2.51305	Sterimol/B3: 4.40316
Sterimol/B4: 5.57867	Sterimol/L: 16.0703

Surface and Volume Properties
Accessible surface: 507.711	Positive charged surface: 285.6	Negative charged surface: 222.111	Volume: 269.125
Hydrophobic surface: 465.244	Hydrophilic surface: 42.467

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.