MMsINC Database Search


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MMsINC code: MMs02166099

Type: Neutral
Formula: C₂₀H₂₅NO₄

SMILES:

O(C)c1c(OC)cc(cc1OC)C(=O)NC(C)c1ccc(cc1C)C

InChI:

InChI=1/C20H25NO4/c1-12-7-8-16(13(2)9-12)14(3)21-20(22)15-10-17(23-4)19(25-6)18(11-15)24-5/h7-11,14H,1-6H3,(H,21,22)/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.449 kcal/mol

Physical Properties
Molecular Weight: 343.423 g/mol	logS: -4.7251	SlogP: 3.91574	Reactive groups: 0

Topological Properties
Globularity: 0.0471682	Sterimol/B1: 2.42947	Sterimol/B2: 3.92713	Sterimol/B3: 4.87576
Sterimol/B4: 6.82714	Sterimol/L: 16.9516

Surface and Volume Properties
Accessible surface: 634.861	Positive charged surface: 461.321	Negative charged surface: 173.54	Volume: 348.625
Hydrophobic surface: 561.395	Hydrophilic surface: 73.466

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.