MMsINC Database Search


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MMsINC code: MMs03913025

Type: Neutral
Formula: C₁₉H₁₉NO₃

SMILES:

O(C)c1c2c(ccc1OC)c(cnc2)Cc1cc(OC)ccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.495 kcal/mol

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

Topological Properties
Globularity: 0.170166	Sterimol/B1: 2.56997	Sterimol/B2: 3.13134	Sterimol/B3: 5.11145
Sterimol/B4: 8.38619	Sterimol/L: 13.3571

Surface and Volume Properties
Accessible surface: 554.427	Positive charged surface: 428.417	Negative charged surface: 117.988	Volume: 307.625
Hydrophobic surface: 513.897	Hydrophilic surface: 40.53

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.