MMsINC Database Search


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MMsINC code: MMs03522201

Type: Neutral
Formula: C₁₉H₁₆O₂

SMILES:

OC1C=Cc2c(cc3c(ccc4c3cccc4)c2C)C1O

InChI:

InChI=1/C19H16O2/c1-11-13-7-6-12-4-2-3-5-15(12)16(13)10-17-14(11)8-9-18(20)19(17)21/h2-10,18-21H,1H3/t18-,19+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.187 kcal/mol

Physical Properties
Molecular Weight: 276.335 g/mol	logS: -5.81126	SlogP: 3.81802	Reactive groups: 0

Topological Properties
Globularity: 0.0360935	Sterimol/B1: 2.0199	Sterimol/B2: 2.99198	Sterimol/B3: 3.58523
Sterimol/B4: 8.08736	Sterimol/L: 14.1664

Surface and Volume Properties
Accessible surface: 487.633	Positive charged surface: 279.518	Negative charged surface: 186.31	Volume: 271.625
Hydrophobic surface: 390.251	Hydrophilic surface: 97.382

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.