MMsINC Database Search


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MMsINC code: MMs02811935

Type: Neutral
Formula: C₂₄H₂₀FNO₂

SMILES:

Fc1cc2CCC(N(c2cc1)C(=O)C1c2c(Oc3c1cccc3)cccc2)C

InChI:

InChI=1/C24H20FNO2/c1-15-10-11-16-14-17(25)12-13-20(16)26(15)24(27)23-18-6-2-4-8-21(18)28-22-9-5-3-7-19(22)23/h2-9,12-15,23H,10-11H2,1H3/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=468.483 kcal/mol

Physical Properties
Molecular Weight: 373.427 g/mol	logS: -6.50959	SlogP: 5.43117	Reactive groups: 0

Topological Properties
Globularity: 0.251648	Sterimol/B1: 2.21975	Sterimol/B2: 2.22785	Sterimol/B3: 6.39385
Sterimol/B4: 8.80814	Sterimol/L: 13.2763

Surface and Volume Properties
Accessible surface: 577.064	Positive charged surface: 330.635	Negative charged surface: 246.429	Volume: 345.125
Hydrophobic surface: 546.663	Hydrophilic surface: 30.401

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.