MMsINC Database Search


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MMsINC code: MMs00910001

Type: Neutral
Formula: C₂₀H₂₃F₂NO₃

SMILES:

Fc1cc(ccc1F)C(=O)NC(Cc1cc(OC)c(cc1OC)C)CC

InChI:

InChI=1/C20H23F2NO3/c1-5-15(23-20(24)13-6-7-16(21)17(22)10-13)9-14-11-18(25-3)12(2)8-19(14)26-4/h6-8,10-11,15H,5,9H2,1-4H3,(H,23,24)/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.7684 kcal/mol

Physical Properties
Molecular Weight: 363.404 g/mol	logS: -4.74055	SlogP: 4.04149	Reactive groups: 0

Topological Properties
Globularity: 0.219532	Sterimol/B1: 2.37259	Sterimol/B2: 3.84617	Sterimol/B3: 4.58268
Sterimol/B4: 9.85479	Sterimol/L: 13.8611

Surface and Volume Properties
Accessible surface: 606.476	Positive charged surface: 400.606	Negative charged surface: 205.869	Volume: 345.375
Hydrophobic surface: 562.466	Hydrophilic surface: 44.01

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.