MMsINC Database Search


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MMsINC code: MMs02843266

Type: Neutral
Formula: C₁₉H₁₉NO₃

SMILES:

O(C)c1cc2c(cc1OC)cncc2Cc1ccc(OC)cc1

InChI:

InChI=1/C19H19NO3/c1-21-16-6-4-13(5-7-16)8-14-11-20-12-15-9-18(22-2)19(23-3)10-17(14)15/h4-7,9-12H,8H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.157 kcal/mol

Physical Properties
Molecular Weight: 309.365 g/mol	logS: -3.95869	SlogP: 3.85137	Reactive groups: 0

Topological Properties
Globularity: 0.165343	Sterimol/B1: 2.20673	Sterimol/B2: 3.2574	Sterimol/B3: 5.90465
Sterimol/B4: 7.52574	Sterimol/L: 14.6896

Surface and Volume Properties
Accessible surface: 545.288	Positive charged surface: 420.614	Negative charged surface: 115.948	Volume: 302.625
Hydrophobic surface: 502.224	Hydrophilic surface: 43.064

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.